PCIDB

KNApSAcK Metabolite C00002109

Metabolite

KNApSAcK Entry

id C00002109
Name Retrorsine
CAS RN 480-54-6
Standard InChI InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1
Standard InChI (Main Layer) InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3

Cluster

Phytochemical cluster No. 2
KCF-S cluster No. 622

Link

ChEMBL

By standard InChI CHEMBL496894
By standard InChI Main Layer CHEMBL520570 CHEMBL496894 CHEMBL1321908 CHEMBL1599718

KEGG

By LinkDB C10364

CTD

By CAS RN C003300

Human Protein / Gene in interaction

15 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1599718 CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1599718 CHEMBL1741325 (1)
0 / 1
P11308 Transcriptional regulator ERG Unclassified protein CHEMBL496894 CHEMBL2114924 (1)
1 / 2
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL496894 CHEMBL1794401 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1599718 CHEMBL1794467 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1599718 CHEMBL1741322 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL496894 CHEMBL1738588 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1599718 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1599718 CHEMBL1741324 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL496894 CHEMBL1599718 CHEMBL1614211 (3)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL496894 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1599718 CHEMBL1613914 (1)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL496894 CHEMBL1613829 (2)
0 / 0
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL496894 CHEMBL1599718 CHEMBL1613933 (2)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL496894 CHEMBL1599718 CHEMBL1613933 (2)
1 / 6

CTD interaction (4)

compound gene gene name gene description interaction interaction type form reference
pmid
C003300 1557 CYP2C19
CPCJ
CYP2C
P450C2C
P450IIC19
cytochrome P450, family 2, subfamily C, polypeptide 19 (EC:1.14.13.48 1.14.13.49 1.14.13.80) CYP2C19 protein results in increased metabolism of and results in increased activity of retrorsine increases activity
/ increases metabolic processing
protein 19818743
C003300 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) CYP3A4 protein results in increased metabolism of and results in increased activity of retrorsine increases activity
/ increases metabolic processing
protein 19818743
C003300 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) Dextromethorphan inhibits the reaction [[retrorsine co-treated with NADP] results in decreased activity of CYP3A4 protein] affects cotreatment
/ decreases activity
/ decreases reaction
protein 19818743
C003300 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) [retrorsine co-treated with NADP] results in decreased activity of CYP3A4 protein affects cotreatment
/ decreases activity
protein 19818743

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#612219 Ewing sarcoma; es P11308
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196

KEGG DISEASE (9)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00024 Prostate cancer P11308 (related)
H00035 Ewing's sarcoma P11308 (related)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)