PCIDB

KNApSAcK Metabolite C00002522

Metabolite

KNApSAcK Entry

id C00002522
Name Deguelin / (-)-cis-Deguelin
CAS RN 522-17-8
Standard InChI InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
Standard InChI (Main Layer) InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 589

Link

ChEMBL

By standard InChI CHEMBL393417
By standard InChI Main Layer CHEMBL393417 CHEMBL1592086

KEGG

By LinkDB C10417

CTD

By CAS RN C107676

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL393417 CHEMBL1614110 (1) CHEMBL1741321 (1)
1 / 0
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL393417 CHEMBL1592086 CHEMBL1613992 (2)
7 / 44
Q16637 Survival motor neuron protein Unclassified protein CHEMBL1592086 CHEMBL1613842 (1)
4 / 2
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL393417 CHEMBL1614281 (1) CHEMBL1614361 (1)
3 / 2
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL393417 CHEMBL1741325 (1)
0 / 1
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme CHEMBL393417 CHEMBL1794342 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL393417 CHEMBL1592086 CHEMBL1794467 (2)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL393417 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL393417 CHEMBL1613777 (1) CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL393417 CHEMBL1592086 CHEMBL1614108 (2) CHEMBL1613886 (2)
CHEMBL1741324 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL393417 CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL393417 CHEMBL1592086 CHEMBL1614421 (1) CHEMBL1614502 (2)
4 / 3

CTD interaction (157)

compound gene gene name gene description interaction interaction type form reference
pmid
C107676 133 ADM
AM
adrenomedullin deguelin inhibits the reaction [Oxygen deficiency results in increased expression of ADM mRNA] decreases reaction
/ increases expression
mRNA 22745725
C107676 207 AKT1
AKT
CWS6
PKB
PKB-ALPHA
PRKBA
RAC
RAC-ALPHA
v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) deguelin inhibits the reaction [TNF protein results in increased phosphorylation of and results in increased activity of AKT1 protein] decreases reaction
/ increases activity
/ increases phosphorylation
protein 17015749
C107676 207 AKT1
AKT
CWS6
PKB
PKB-ALPHA
PRKBA
RAC
RAC-ALPHA
v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) deguelin metabolite results in decreased expression of AKT1 protein decreases expression
protein 19139008
C107676 207 AKT1
AKT
CWS6
PKB
PKB-ALPHA
PRKBA
RAC
RAC-ALPHA
v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) deguelin results in decreased expression of AKT1 protein decreases expression
protein 19139008
19336726
C107676 207 AKT1
AKT
CWS6
PKB
PKB-ALPHA
PRKBA
RAC
RAC-ALPHA
v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) deguelin results in decreased phosphorylation of AKT1 protein decreases phosphorylation
protein 18593368
19336726
C107676 51129 ANGPTL4
ANGPTL2
ARP4
FIAF
HARP
HFARP
NL2
PGAR
UNQ171
pp1158
angiopoietin-like 4 deguelin inhibits the reaction [Oxygen deficiency results in increased expression of ANGPTL4 mRNA] decreases reaction
/ increases expression
mRNA 22745725
C107676 472 ATM
AT1
ATA
ATC
ATD
ATDC
ATE
TEL1
TELO1
ataxia telangiectasia mutated (EC:2.7.11.1) deguelin results in decreased expression of ATM mRNA decreases expression
mRNA 22227970
C107676 545 ATR
FCTCS
FRP1
MEC1
SCKL
SCKL1
ataxia telangiectasia and Rad3 related (EC:2.7.11.1) deguelin results in decreased expression of ATR mRNA decreases expression
mRNA 22227970
C107676 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 deguelin inhibits the reaction [TNF protein results in increased expression of BCL2 mRNA] decreases reaction
/ increases expression
mRNA 22623043
C107676 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 deguelin results in decreased expression of BCL2 mRNA decreases expression
mRNA 19365708
22623043
C107676 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 deguelin results in decreased expression of BCL2 protein decreases expression
protein 19365708
C107676 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 deguelin inhibits the reaction [TNF protein results in increased expression of BCL2L1 mRNA] decreases reaction
/ increases expression
mRNA 22623043
C107676 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 deguelin results in decreased expression of BCL2L1 mRNA decreases expression
mRNA 19365708
22623043
C107676 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 deguelin results in decreased expression of BCL2L1 protein decreases expression
protein 19365708
21472727
C107676 332 BIRC5
API4
EPR-1
baculoviral IAP repeat containing 5 deguelin inhibits the reaction [docetaxel results in increased expression of BIRC5 protein] decreases reaction
/ increases expression
protein 17035597
C107676 332 BIRC5
API4
EPR-1
baculoviral IAP repeat containing 5 deguelin inhibits the reaction [Doxorubicin results in increased expression of BIRC5 protein] decreases reaction
/ increases expression
protein 17035597
C107676 332 BIRC5
API4
EPR-1
baculoviral IAP repeat containing 5 deguelin results in decreased expression of BIRC5 protein decreases expression
protein 17035597
18593368
21472727
C107676 672 BRCA1
BRCAI
BRCC1
BROVCA1
IRIS
PNCA4
PPP1R53
PSCP
RNF53
breast cancer 1, early onset deguelin results in decreased expression of BRCA1 mRNA decreases expression
mRNA 22227970
C107676 768 CA9
CAIX
MN
carbonic anhydrase IX (EC:4.2.1.1) deguelin inhibits the reaction [Oxygen deficiency results in increased expression of CA9 mRNA] decreases reaction
/ increases expression
mRNA 22745725
C107676 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) deguelin results in increased activity of CASP3 protein increases activity
protein 19336726
22623043
C107676 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) deguelin results in increased cleavage of CASP3 protein increases cleavage
protein 18593368
C107676 840 CASP7
CASP-7
CMH-1
ICE-LAP3
LICE2
MCH3
caspase 7, apoptosis-related cysteine peptidase (EC:3.4.22.60) deguelin metabolite results in increased expression of CASP7 protein modified form increases expression
protein 19139008
C107676 840 CASP7
CASP-7
CMH-1
ICE-LAP3
LICE2
MCH3
caspase 7, apoptosis-related cysteine peptidase (EC:3.4.22.60) deguelin results in increased expression of CASP7 protein modified form increases expression
protein 19139008
C107676 595 CCND1
BCL1
D11S287E
PRAD1
U21B31
cyclin D1 benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [deguelin results in decreased expression of CCND1 protein] decreases expression
/ decreases reaction
protein 21472727
C107676 595 CCND1
BCL1
D11S287E
PRAD1
U21B31
cyclin D1 deguelin inhibits the reaction [TNF protein results in increased expression of CCND1 protein] decreases reaction
/ increases expression
protein 17015749
C107676 595 CCND1
BCL1
D11S287E
PRAD1
U21B31
cyclin D1 deguelin results in decreased expression of CCND1 protein decreases expression
protein 15960896
19861542
21472727
C107676 595 CCND1
BCL1
D11S287E
PRAD1
U21B31
cyclin D1 [deguelin results in increased degradation of CTNNB1 protein] which results in decreased expression of CCND1 protein decreases expression
/ increases degradation
protein 21472727
C107676 1001 CDH3
CDHP
HJMD
PCAD
cadherin 3, type 1, P-cadherin (placental) deguelin results in increased expression of CDH3 mRNA increases expression
mRNA 19861542
C107676 1005 CDH7
CDH7L1
cadherin 7, type 2 deguelin results in increased expression of CDH7 mRNA increases expression
mRNA 19861542
C107676 1007 CDH9
cadherin 9, type 2 (T1-cadherin) deguelin results in increased expression of CDH9 mRNA increases expression
mRNA 19861542
C107676 1019 CDK4
CMM3
PSK-J3
cyclin-dependent kinase 4 (EC:2.7.11.22) deguelin metabolite results in decreased expression of CDK4 protein decreases expression
protein 19139008
C107676 1019 CDK4
CMM3
PSK-J3
cyclin-dependent kinase 4 (EC:2.7.11.22) deguelin results in decreased expression of CDK4 protein decreases expression
protein 19139008
19336726
C107676 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) deguelin metabolite results in decreased expression of CDKN1A protein decreases expression
protein 19139008
C107676 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) deguelin results in decreased expression of CDKN1A protein decreases expression
protein 19139008
C107676 8837 CFLAR
CASH
CASP8AP1
CLARP
Casper
FLAME
FLAME-1
FLAME1
FLIP
I-FLICE
MRIT
c-FLIP
c-FLIPL
c-FLIPR
c-FLIPS
CASP8 and FADD-like apoptosis regulator deguelin inhibits the reaction [TNF protein results in increased expression of CFLAR mRNA] decreases reaction
/ increases expression
mRNA 22623043
C107676 8837 CFLAR
CASH
CASP8AP1
CLARP
Casper
FLAME
FLAME-1
FLAME1
FLIP
I-FLICE
MRIT
c-FLIP
c-FLIPL
c-FLIPR
c-FLIPS
CASP8 and FADD-like apoptosis regulator deguelin results in decreased expression of CFLAR mRNA decreases expression
mRNA 22623043
C107676 9075 CLDN2
claudin 2 deguelin results in increased expression of CLDN2 mRNA increases expression
mRNA 19861542
C107676 7122 CLDN5
AWAL
BEC1
CPETRL1
TMVCF
claudin 5 deguelin results in increased expression of CLDN5 mRNA increases expression
mRNA 19861542
C107676 1499 CTNNB1
CTNNB
MRD19
armadillo
catenin (cadherin-associated protein), beta 1, 88kDa benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [deguelin results in decreased expression of CTNNB1 protein] decreases expression
/ decreases reaction
protein 21472727
C107676 1499 CTNNB1
CTNNB
MRD19
armadillo
catenin (cadherin-associated protein), beta 1, 88kDa benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [deguelin results in increased degradation of CTNNB1 protein] decreases reaction
/ increases degradation
protein 21472727
C107676 1499 CTNNB1
CTNNB
MRD19
armadillo
catenin (cadherin-associated protein), beta 1, 88kDa deguelin results in decreased expression of CTNNB1 protein decreases expression
protein 21472727
C107676 1499 CTNNB1
CTNNB
MRD19
armadillo
catenin (cadherin-associated protein), beta 1, 88kDa deguelin results in increased degradation of CTNNB1 protein increases degradation
protein 21472727
C107676 1499 CTNNB1
CTNNB
MRD19
armadillo
catenin (cadherin-associated protein), beta 1, 88kDa [deguelin results in increased degradation of CTNNB1 protein] which results in decreased expression of CCND1 protein decreases expression
/ increases degradation
protein 21472727
C107676 1499 CTNNB1
CTNNB
MRD19
armadillo
catenin (cadherin-associated protein), beta 1, 88kDa [deguelin results in increased degradation of CTNNB1 protein] which results in decreased expression of MYC protein decreases expression
/ increases degradation
protein 21472727
C107676 7852 CXCR4
CD184
D2S201E
FB22
HM89
HSY3RR
LAP3
LCR1
LESTR
NPY3R
NPYR
NPYRL
NPYY3R
WHIM
chemokine (C-X-C motif) receptor 4 deguelin inhibits the reaction [Oxygen deficiency results in increased expression of CXCR4 mRNA] decreases reaction
/ increases expression
mRNA 22745725
C107676 27123 DKK2
DKK-2
dickkopf WNT signaling pathway inhibitor 2 deguelin results in decreased expression of DKK2 mRNA decreases expression
mRNA 19861542
C107676 27121 DKK4
DKK-4
dickkopf WNT signaling pathway inhibitor 4 deguelin results in increased expression of DKK4 mRNA increases expression
mRNA 19861542
C107676 1956 EGFR
ERBB
ERBB1
HER1
PIG61
mENA
epidermal growth factor receptor (EC:2.7.10.1) deguelin metabolite results in decreased expression of EGFR protein decreases expression
protein 19139008
C107676 1956 EGFR
ERBB
ERBB1
HER1
PIG61
mENA
epidermal growth factor receptor (EC:2.7.10.1) deguelin results in decreased expression of EGFR protein decreases expression
protein 19139008
C107676 112399 EGLN3
HIFP4H3
HIFPH3
PHD3
egl-9 family hypoxia-inducible factor 3 (EC:1.14.11.29) deguelin inhibits the reaction [Oxygen deficiency results in increased expression of EGLN3 mRNA] decreases reaction
/ increases expression
mRNA 22745725
C107676 1978 EIF4EBP1
4E-BP1
4EBP1
BP-1
PHAS-I
eukaryotic translation initiation factor 4E binding protein 1 deguelin metabolite results in decreased expression of EIF4EBP1 protein modified form decreases expression
protein 19139008
C107676 1978 EIF4EBP1
4E-BP1
4EBP1
BP-1
PHAS-I
eukaryotic translation initiation factor 4E binding protein 1 deguelin results in decreased expression of EIF4EBP1 protein modified form decreases expression
protein 19139008
C107676 2034 EPAS1
ECYT4
HIF2A
HLF
MOP2
PASD2
bHLHe73
endothelial PAS domain protein 1 deguelin results in decreased expression of EPAS1 protein decreases expression
protein 19336726
C107676 2487 FRZB
FRE
FRITZ
FRP-3
FRZB-1
FRZB-PEN
FRZB1
FZRB
OS1
SFRP3
SRFP3
hFIZ
frizzled-related protein deguelin results in increased expression of FRZB mRNA increases expression
mRNA 19861542
C107676 11211 FZD10
CD350
FZ-10
Fz10
FzE7
hFz10
frizzled family receptor 10 deguelin results in increased expression of FZD10 mRNA increases expression
mRNA 19861542
C107676 8322 FZD4
CD344
EVR1
FEVR
FZD4S
Fz-4
Fz4
FzE4
GPCR
hFz4
frizzled family receptor 4 deguelin results in increased expression of FZD4 mRNA increases expression
mRNA 19861542
C107676 8325 FZD8
FZ-8
hFZ8
frizzled family receptor 8 deguelin results in increased expression of FZD8 mRNA increases expression
mRNA 19861542
C107676 2932 GSK3B
glycogen synthase kinase 3 beta (EC:2.7.11.1 2.7.11.26) deguelin results in decreased phosphorylation of GSK3B protein decreases phosphorylation
protein 19336726
21472727
C107676 3091 HIF1A
HIF-1A
HIF-1alpha
HIF1
HIF1-ALPHA
MOP1
PASD8
bHLHe78
hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [deguelin results in increased degradation of HIF1A protein] decreases reaction
/ increases degradation
protein 17764071
C107676 3091 HIF1A
HIF-1A
HIF-1alpha
HIF1
HIF1-ALPHA
MOP1
PASD8
bHLHe78
hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) deguelin inhibits the reaction [IGF1 protein results in increased expression of HIF1A protein] decreases reaction
/ increases expression
protein 17764071
C107676 3091 HIF1A
HIF-1A
HIF-1alpha
HIF1
HIF1-ALPHA
MOP1
PASD8
bHLHe78
hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) deguelin inhibits the reaction [Oxygen deficiency results in increased expression of HIF1A protein] decreases reaction
/ increases expression
protein 17764071
18575727
19139008
22745725
C107676 3091 HIF1A
HIF-1A
HIF-1alpha
HIF1
HIF1-ALPHA
MOP1
PASD8
bHLHe78
hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) deguelin metabolite inhibits the reaction [Oxygen deficiency results in increased expression of HIF1A protein] decreases reaction
/ increases expression
protein 19139008
C107676 3091 HIF1A
HIF-1A
HIF-1alpha
HIF1
HIF1-ALPHA
MOP1
PASD8
bHLHe78
hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) deguelin results in increased degradation of HIF1A protein increases degradation
protein 17764071
C107676 3383 ICAM1
BB2
CD54
P3.58
intercellular adhesion molecule 1 deguelin inhibits the reaction [Oxygen deficiency results in increased expression of ICAM1 mRNA] decreases reaction
/ increases expression
mRNA 22745725
C107676 3383 ICAM1
BB2
CD54
P3.58
intercellular adhesion molecule 1 deguelin inhibits the reaction [Oxygen deficiency results in increased expression of ICAM1 protein] decreases reaction
/ increases expression
protein 22745725
C107676 3383 ICAM1
BB2
CD54
P3.58
intercellular adhesion molecule 1 deguelin inhibits the reaction [TNF protein results in increased expression of ICAM1 protein] decreases reaction
/ increases expression
protein 17015749
C107676 3479 IGF1
IGF-I
IGF1A
IGFI
insulin-like growth factor 1 (somatomedin C) deguelin inhibits the reaction [IGF1 protein results in increased expression of HIF1A protein] decreases reaction
/ increases expression
protein 17764071
C107676 3479 IGF1
IGF-I
IGF1A
IGFI
insulin-like growth factor 1 (somatomedin C) deguelin inhibits the reaction [IGF1 protein results in increased expression of VEGFA mRNA] decreases reaction
/ increases expression
protein 17764071
C107676 3480 IGF1R
CD221
IGFIR
IGFR
JTK13
insulin-like growth factor 1 receptor (EC:2.7.10.1) deguelin metabolite results in decreased expression of IGF1R protein decreases expression
protein 19139008
C107676 3480 IGF1R
CD221
IGFIR
IGFR
JTK13
insulin-like growth factor 1 receptor (EC:2.7.10.1) deguelin results in decreased expression of IGF1R protein decreases expression
protein 19139008
C107676 3549 IHH
BDA1
HHG2
indian hedgehog deguelin results in increased expression of IHH mRNA increases expression
mRNA 19861542
C107676 3586 IL10
CSIF
GVHDS
IL-10
IL10A
TGIF
interleukin 10 deguelin inhibits the reaction [Oxygen deficiency results in increased expression of IL10 mRNA] decreases reaction
/ increases expression
mRNA 22745725
C107676 3576 IL8
CXCL8
GCP-1
GCP1
LECT
LUCT
LYNAP
MDNCF
MONAP
NAF
NAP-1
NAP1
interleukin 8 deguelin inhibits the reaction [TNF protein results in increased expression of IL8 mRNA] decreases reaction
/ increases expression
mRNA 22623043
C107676 3791 KDR
CD309
FLK1
VEGFR
VEGFR2
kinase insert domain receptor (a type III receptor tyrosine kinase) (EC:2.7.10.1) deguelin metabolite results in decreased expression of KDR protein decreases expression
protein 19139008
C107676 3791 KDR
CD309
FLK1
VEGFR
VEGFR2
kinase insert domain receptor (a type III receptor tyrosine kinase) (EC:2.7.10.1) deguelin results in decreased expression of KDR protein decreases expression
protein 19139008
C107676 4015 LOX
lysyl oxidase (EC:1.4.3.13) deguelin inhibits the reaction [Oxygen deficiency results in increased expression of LOX mRNA] decreases reaction
/ increases expression
mRNA 22745725
C107676 5604 MAP2K1
CFC3
MAPKK1
MEK1
MKK1
PRKMK1
mitogen-activated protein kinase kinase 1 (EC:2.7.12.2) deguelin metabolite results in decreased expression of MAP2K1 protein decreases expression
protein 19139008
C107676 5604 MAP2K1
CFC3
MAPKK1
MEK1
MKK1
PRKMK1
mitogen-activated protein kinase kinase 1 (EC:2.7.12.2) deguelin results in decreased expression of MAP2K1 protein decreases expression
protein 19139008
19336726
C107676 5605 MAP2K2
CFC4
MAPKK2
MEK2
MKK2
PRKMK2
mitogen-activated protein kinase kinase 2 (EC:2.7.12.2) deguelin results in decreased expression of MAP2K2 protein decreases expression
protein 19336726
C107676 4170 MCL1
BCL2L3
EAT
MCL1-ES
MCL1L
MCL1S
Mcl-1
TM
bcl2-L-3
mcl1/EAT
myeloid cell leukemia sequence 1 (BCL2-related) deguelin results in decreased expression of MCL1 protein decreases expression
protein 21472727
C107676 4255 MGMT
O-6-methylguanine-DNA methyltransferase (EC:2.1.1.63) deguelin results in decreased expression of MGMT mRNA decreases expression
mRNA 22227970
C107676 4288 MKI67
KIA
MIB-1
marker of proliferation Ki-67 deguelin results in decreased expression of MKI67 protein decreases expression
protein 22623043
C107676 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) deguelin inhibits the reaction [TNF protein results in increased expression of MMP9 protein] decreases reaction
/ increases expression
protein 17015749
C107676 2475 MTOR
FRAP
FRAP1
FRAP2
RAFT1
RAPT1
mechanistic target of rapamycin (serine/threonine kinase) (EC:2.7.11.1) deguelin metabolite results in decreased expression of MTOR protein decreases expression
protein 19139008
C107676 2475 MTOR
FRAP
FRAP1
FRAP2
RAFT1
RAPT1
mechanistic target of rapamycin (serine/threonine kinase) (EC:2.7.11.1) deguelin results in decreased expression of MTOR protein decreases expression
protein 19139008
C107676 4609 MYC
MRTL
MYCC
bHLHe39
c-Myc
v-myc avian myelocytomatosis viral oncogene homolog benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [deguelin results in decreased expression of MYC protein] decreases expression
/ decreases reaction
protein 21472727
C107676 4609 MYC
MRTL
MYCC
bHLHe39
c-Myc
v-myc avian myelocytomatosis viral oncogene homolog deguelin inhibits the reaction [TNF protein results in increased expression of MYC protein] decreases reaction
/ increases expression
protein 17015749
C107676 4609 MYC
MRTL
MYCC
bHLHe39
c-Myc
v-myc avian myelocytomatosis viral oncogene homolog deguelin results in decreased expression of MYC protein decreases expression
protein 21472727
C107676 4609 MYC
MRTL
MYCC
bHLHe39
c-Myc
v-myc avian myelocytomatosis viral oncogene homolog [deguelin results in increased degradation of CTNNB1 protein] which results in decreased expression of MYC protein decreases expression
/ increases degradation
protein 21472727
C107676 8202 NCOA3
ACTR
AIB-1
AIB1
CAGH16
CTG26
KAT13B
RAC3
SRC-3
SRC3
TNRC14
TNRC16
TRAM-1
bHLHe42
pCIP
nuclear receptor coactivator 3 (EC:2.3.1.48) deguelin results in decreased expression of NCOA3 mRNA decreases expression
mRNA 19365708
C107676 8202 NCOA3
ACTR
AIB-1
AIB1
CAGH16
CTG26
KAT13B
RAC3
SRC-3
SRC3
TNRC14
TNRC16
TRAM-1
bHLHe42
pCIP
nuclear receptor coactivator 3 (EC:2.3.1.48) deguelin results in decreased expression of NCOA3 protein decreases expression
protein 19365708
C107676 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha deguelin inhibits the reaction [TNF protein results in increased phosphorylation of and results in increased degradation of NFKBIA protein] decreases reaction
/ increases degradation
/ increases phosphorylation
protein 17015749
22623043
C107676 4846 NOS3
ECNOS
eNOS
nitric oxide synthase 3 (endothelial cell) (EC:1.14.13.39) deguelin results in decreased expression of NOS3 protein decreases expression
protein 19336726
C107676 4928 NUP98
ADIR2
NUP196
NUP96
nucleoporin 98kDa deguelin results in decreased expression of NUP98 mRNA decreases expression
mRNA 17490514
C107676 4928 NUP98
ADIR2
NUP196
NUP96
nucleoporin 98kDa deguelin results in decreased expression of NUP98 protein decreases expression
protein 17490514
C107676 4953 ODC1
ODC
ornithine decarboxylase 1 (EC:4.1.1.17) deguelin results in increased activity of ODC1 protein increases activity
protein 9834970
C107676 142 PARP1
ADPRT
ADPRT_1
ADPRT1
ARTD1
PARP
PARP-1
PPOL
pADPRT-1
poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) deguelin inhibits the reaction [TNF protein results in increased cleavage of PARP1 protein] decreases reaction
/ increases cleavage
protein 17015749
C107676 142 PARP1
ADPRT
ADPRT_1
ADPRT1
ARTD1
PARP
PARP-1
PPOL
pADPRT-1
poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) deguelin metabolite results in increased expression of PARP1 protein modified form increases expression
protein 19139008
C107676 142 PARP1
ADPRT
ADPRT_1
ADPRT1
ARTD1
PARP
PARP-1
PPOL
pADPRT-1
poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) deguelin results in increased cleavage of PARP1 protein increases cleavage
protein 17035597
C107676 142 PARP1
ADPRT
ADPRT_1
ADPRT1
ARTD1
PARP
PARP-1
PPOL
pADPRT-1
poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) deguelin results in increased expression of PARP1 protein modified form increases expression
protein 19139008
C107676 5163 PDK1
pyruvate dehydrogenase kinase, isozyme 1 (EC:2.7.11.2) deguelin metabolite results in decreased expression of PDK1 protein decreases expression
protein 19139008
C107676 5163 PDK1
pyruvate dehydrogenase kinase, isozyme 1 (EC:2.7.11.2) deguelin results in decreased expression of PDK1 protein decreases expression
protein 19139008
C107676 5290 PIK3CA
CLOVE
CWS5
MCAP
MCM
MCMTC
PI3K
p110-alpha
phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha (EC:2.7.11.1 2.7.1.153) deguelin metabolite results in decreased expression of PIK3CA protein decreases expression
protein 19139008
C107676 5290 PIK3CA
CLOVE
CWS5
MCAP
MCM
MCMTC
PI3K
p110-alpha
phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha (EC:2.7.11.1 2.7.1.153) deguelin results in decreased expression of PIK3CA protein decreases expression
protein 19139008
C107676 5591 PRKDC
DNA-PKcs
DNAPK
DNPK1
HYRC
HYRC1
XRCC7
p350
protein kinase, DNA-activated, catalytic polypeptide (EC:2.7.11.1) deguelin results in decreased expression of PRKDC mRNA decreases expression
mRNA 22227970
C107676 5743 PTGS2
COX-2
COX2
GRIPGHS
PGG/HS
PGHS-2
PHS-2
hCox-2
prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) (EC:1.14.99.1) deguelin inhibits the reaction [TNF protein results in increased expression of PTGS2 protein] decreases reaction
/ increases expression
protein 17015749
C107676 5925 RB1
OSRC
RB
p105-Rb
pRb
pp110
retinoblastoma 1 deguelin results in decreased expression of RB1 protein decreases expression
protein 15960896
C107676 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A deguelin inhibits the reaction [TNF protein results in increased phosphorylation of and affects the localization of RELA protein] affects localization
/ decreases reaction
/ increases phosphorylation
protein 17015749
C107676 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A deguelin results in decreased expression of RELA mRNA decreases expression
mRNA 19365708
C107676 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A deguelin results in decreased expression of RELA protein decreases expression
protein 19365708
C107676 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A deguelin results in decreased phosphorylation of RELA protein decreases phosphorylation
protein 22623043
C107676 6194 RPS6
S6
ribosomal protein S6 deguelin metabolite results in decreased expression of RPS6 protein decreases expression
protein 19139008
C107676 6194 RPS6
S6
ribosomal protein S6 deguelin metabolite results in decreased expression of RPS6 protein modified form decreases expression
protein 19139008
C107676 6194 RPS6
S6
ribosomal protein S6 deguelin results in decreased expression of RPS6 protein decreases expression
protein 19139008
C107676 6194 RPS6
S6
ribosomal protein S6 deguelin results in decreased expression of RPS6 protein modified form decreases expression
protein 19139008
C107676 6198 RPS6KB1
PS6K
S6K
S6K-beta-1
S6K1
STK14A
p70_S6KA
p70(S6K)-alpha
p70-S6K
p70-alpha
ribosomal protein S6 kinase, 70kDa, polypeptide 1 (EC:2.7.11.1) deguelin metabolite results in decreased expression of RPS6KB1 protein decreases expression
protein 19139008
C107676 6198 RPS6KB1
PS6K
S6K
S6K-beta-1
S6K1
STK14A
p70_S6KA
p70(S6K)-alpha
p70-S6K
p70-alpha
ribosomal protein S6 kinase, 70kDa, polypeptide 1 (EC:2.7.11.1) deguelin results in decreased expression of RPS6KB1 protein decreases expression
protein 19139008
C107676 6423 SFRP2
FRP-2
SARP1
SDF-5
secreted frizzled-related protein 2 deguelin results in decreased expression of SFRP2 mRNA decreases expression
mRNA 19861542
C107676 6615 SNAI1
SLUGH2
SNA
SNAH
SNAIL
SNAIL1
dJ710H13.1
snail family zinc finger 1 deguelin results in decreased expression of SNAI1 mRNA decreases expression
mRNA 19861542
C107676 8403 SOX14
SOX28
SRY (sex determining region Y)-box 14 deguelin results in increased expression of SOX14 mRNA increases expression
mRNA 19861542
C107676 11063 SOX30
SRY (sex determining region Y)-box 30 deguelin results in increased expression of SOX30 mRNA increases expression
mRNA 19861542
C107676 6660 SOX5
L-SOX5
SRY (sex determining region Y)-box 5 deguelin results in increased expression of SOX5 mRNA increases expression
mRNA 19861542
C107676 6714 SRC
ASV
SRC1
c-SRC
p60-Src
v-src avian sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog (EC:2.7.10.2) deguelin metabolite results in increased activity of SRC protein increases activity
protein 19139008
C107676 6714 SRC
ASV
SRC1
c-SRC
p60-Src
v-src avian sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog (EC:2.7.10.2) deguelin results in increased activity of SRC protein increases activity
protein 19139008
C107676 6774 STAT3
APRF
HIES
signal transducer and activator of transcription 3 (acute-phase response factor) deguelin metabolite results in increased activity of STAT3 protein increases activity
protein 19139008
C107676 6774 STAT3
APRF
HIES
signal transducer and activator of transcription 3 (acute-phase response factor) deguelin results in increased activity of STAT3 protein increases activity
protein 19139008
C107676 6778 STAT6
D12S1644
IL-4-STAT
STAT6B
STAT6C
signal transducer and activator of transcription 6, interleukin-4 induced deguelin metabolite results in increased phosphorylation of STAT6 protein increases phosphorylation
protein 19139008
C107676 6778 STAT6
D12S1644
IL-4-STAT
STAT6B
STAT6C
signal transducer and activator of transcription 6, interleukin-4 induced deguelin results in increased phosphorylation of STAT6 protein increases phosphorylation
protein 19139008
C107676 412 STS
ARSC
ARSC1
ASC
ES
SSDD
XLI
steroid sulfatase (microsomal), isozyme S (EC:3.1.6.2) deguelin inhibits the reaction [Tretinoin results in increased activity of STS protein] decreases reaction
/ increases activity
protein 16178010
C107676 6925 TCF4
E2-2
ITF-2
ITF2
PTHS
SEF-2
SEF2
SEF2-1
SEF2-1A
SEF2-1B
TCF-4
bHLHb19
transcription factor 4 deguelin results in increased expression of TCF4 mRNA increases expression
mRNA 19861542
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased cleavage of PARP1 protein] decreases reaction
/ increases cleavage
protein 17015749
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased expression of BCL2L1 mRNA] decreases reaction
/ increases expression
protein 22623043
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased expression of BCL2 mRNA] decreases reaction
/ increases expression
protein 22623043
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased expression of CCND1 protein] decreases reaction
/ increases expression
protein 17015749
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased expression of CFLAR mRNA] decreases reaction
/ increases expression
protein 22623043
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased expression of ICAM1 protein] decreases reaction
/ increases expression
protein 17015749
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased expression of IL8 mRNA] decreases reaction
/ increases expression
protein 22623043
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased expression of MMP9 protein] decreases reaction
/ increases expression
protein 17015749
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased expression of MYC protein] decreases reaction
/ increases expression
protein 17015749
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased expression of PTGS2 protein] decreases reaction
/ increases expression
protein 17015749
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased phosphorylation of and affects the localization of RELA protein] affects localization
/ decreases reaction
/ increases phosphorylation
protein 17015749
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased phosphorylation of and results in increased activity of AKT1 protein] decreases reaction
/ increases activity
/ increases phosphorylation
protein 17015749
C107676 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor deguelin inhibits the reaction [TNF protein results in increased phosphorylation of and results in increased degradation of NFKBIA protein] decreases reaction
/ increases degradation
/ increases phosphorylation
protein 17015749
22623043
C107676 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 deguelin results in decreased expression of TP53 mRNA decreases expression
mRNA 22227970
C107676 7422 VEGFA
MVCD1
VEGF
VPF
vascular endothelial growth factor A deguelin inhibits the reaction [IGF1 protein results in increased expression of VEGFA mRNA] decreases reaction
/ increases expression
mRNA 17764071
C107676 7422 VEGFA
MVCD1
VEGF
VPF
vascular endothelial growth factor A deguelin inhibits the reaction [Oxygen deficiency results in increased expression of VEGFA mRNA] decreases reaction
/ increases expression
mRNA 17764071
22745725
C107676 7422 VEGFA
MVCD1
VEGF
VPF
vascular endothelial growth factor A deguelin inhibits the reaction [Oxygen deficiency results in increased expression of VEGFA protein] decreases reaction
/ increases expression
protein 18575727
C107676 7422 VEGFA
MVCD1
VEGF
VPF
vascular endothelial growth factor A deguelin results in decreased expression of VEGFA protein decreases expression
protein 17764071
22623043
C107676 7422 VEGFA
MVCD1
VEGF
VPF
vascular endothelial growth factor A VEGFA protein results in decreased susceptibility to deguelin decreases response to substance
protein 17764071
C107676 11197 WIF1
WIF-1
WNT inhibitory factor 1 deguelin results in increased expression of WIF1 mRNA increases expression
mRNA 19861542
C107676 80326 WNT10A
OODD
SSPS
STHAG4
wingless-type MMTV integration site family, member 10A deguelin results in increased expression of WNT10A mRNA increases expression
mRNA 19861542
C107676 7481 WNT11
HWNT11
wingless-type MMTV integration site family, member 11 deguelin results in increased expression of WNT11 mRNA increases expression
mRNA 19861542
C107676 7222233 deguelin results in decreased expression of WNT14 mRNA decreases expression
mRNA 19861542
C107676 7472 WNT2
INT1L1
IRP
wingless-type MMTV integration site family member 2 deguelin results in increased expression of WNT2 mRNA increases expression
mRNA 19861542
C107676 7482 WNT2B
WNT13
XWNT2
wingless-type MMTV integration site family, member 2B deguelin results in decreased expression of WNT2B mRNA decreases expression
mRNA 19861542
C107676 89780 WNT3A
wingless-type MMTV integration site family, member 3A deguelin results in decreased expression of WNT3A mRNA decreases expression
mRNA 19861542
C107676 331 XIAP
API3
BIRC4
IAP-3
ILP1
MIHA
XLP2
hIAP-3
hIAP3
X-linked inhibitor of apoptosis deguelin results in decreased expression of XIAP protein decreases expression
protein 17035597

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (20)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#133239 Esophageal cancer P04637
#600274 Frontotemporal dementia; ftd P10636
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (45)

KEGG disease name UniProt
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer P04637 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
P08684 (marker)
H00038 Malignant melanoma P04637 (related)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H01205 Coumarin resistance P11712 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)

Diseases related to CTD interactions

10 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D001943 C107676 Breast Neoplasms therapeutic
17035597
18593368
D006528 C107676 Carcinoma, Hepatocellular therapeutic
18575727
D008175 C107676 Lung Neoplasms therapeutic
16288123
19336726
D008207 C107676 Lymphatic Metastasis therapeutic
20162567
D009361 C107676 Neoplasm Invasiveness therapeutic
21472727
D009362 C107676 Neoplasm Metastasis therapeutic
21472727
D009369 C107676 Neoplasms therapeutic
17764071
22623043
D009374 C107676 Neoplasms, Experimental therapeutic
20162567
D011471 C107676 Prostatic Neoplasms therapeutic
21472727
D012878 C107676 Skin Neoplasms therapeutic
16041863