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

General Information of Drug (ID: DR4443)
Drug Name
GSK2330672
Synonyms .
Indication Pruritus [ICD11: EC90] Phase 2 [1]
Type-2 diabetes [ICD11: ICD11: 5A11] Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 546.7 Topological Polar Surface Area 150
Heavy Atom Count 38 Rotatable Bond Count 13
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
53492727
CAS Number
1345982-69-5
TTD Drug ID
D0X8CH
Formula
C28H38N2O7S
Canonical SMILES
CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C(=C2)CNC(CC(=O)O)CC(=O)O)OC)[C@H](N1)C3=CC=CC=C3)CC
InChI
InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
InChIKey
CZGVOBIGEBDYTP-VSGBNLITSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
GSK2330672 M1 PDM010231 N. A. Conjugation - Glycine conjugation 1 Human
GSK2330672 M2 PDM010232 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
GSK2330672 M3 PDM010233 N. A. Conjugation - Carnitine conjugation 1 Human
GSK2330672 M4 PDM010234 N. A. Oxidation - alpha-Oxidation of carboxylic acid 1 Gut microbial environment
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Discovery of a highly potent, nonabsorbable apical sodium-dependent bile acid transporter inhibitor (GSK2330672) for treatment of type 2 diabetes. J Med Chem. 2013 Jun 27;56(12):5094-114.
3 Pharmacokinetics and ADME Characterization of Intravenous and Oral [(14)C]-Linerixibat in Healthy Male Volunteers

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