PCIDB

KNApSAcK Metabolite C00001627

Metabolite

KNApSAcK Entry

id C00001627
Name Kondelfin / Condelphine
CAS RN 7633-69-4
Standard InChI InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23?,24+,25-/m1/s1
Standard InChI (Main Layer) InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 31

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL343843 CHEMBL1242535 CHEMBL1741540

KEGG

By LinkDB C08671

CTD

By CAS RN

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1741540 CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1741540 CHEMBL1741325 (1)
0 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1741540 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1741540 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1741540 CHEMBL1741324 (1)
0 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635

KEGG DISEASE (3)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)