Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3068)
Drug Name
Darapladib
Synonyms SB 480848; Darapladib (USAN)
Indication Arteriosclerosis obliterans [ICD11: BD40] Discontinued in Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 666.8 Topological Polar Surface Area 81.5
Heavy Atom Count 47 Rotatable Bond Count 13
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
9939609
CAS Number
356057-34-6
TTD Drug ID
D0L5UO
Formula
C36H38F4N4O2S
Canonical SMILES
CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCC5=CC=C(C=C5)F
InChI
InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
InChIKey
WDPFJWLDPVQCAJ-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Darapladib Metabolite M11 DM016195
58001870
Unclear - Unclear 1 [2]
Darapladib Metabolite M19 DM017849 N. A. Unclear - Unclear 1 [2]
Darapladib Metabolite M3 DM017848 N. A. Oxidation - Hydroxylation 1 [2]
Darapladib Metabolite M4 DM017846 N. A. Oxidation - N-deethylation 1 [2]
Darapladib Metabolite M7 DM016854
162535326
Hydrolysis - Hydrolysis 1 [2]
Darapladib Metabolite M7 DM016854
162535326
Unclear - Unclear 1 [2]
Darapladib Metabolite M16 DM017847 N. A. Oxidation - N-deethylation 2 [2]
Darapladib Metabolite M16 DM017847 N. A. Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013006 Darapladib Darapladib Metabolite M4 Oxidation - N-deethylation Unclear [2]
MR013008 Darapladib Darapladib Metabolite M3 Oxidation - Hydroxylation Unclear [2]
MR013010 Darapladib Darapladib Metabolite M11 Unclear - Unclear Unclear [2]
MR013011 Darapladib Darapladib Metabolite M7 Unclear - Unclear Unclear [2]
MR013012 Darapladib Darapladib Metabolite M19 Unclear - Unclear Unclear [2]
MR013009 Darapladib Metabolite M3 Darapladib Metabolite M16 Oxidation - N-deethylation Unclear [2]
MR013007 Darapladib Metabolite M4 Darapladib Metabolite M16 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6696).
2 Disposition and metabolism of darapladib, a lipoprotein-associated phospholipase A2 inhibitor, in humans

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