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

General Information of Drug (ID: DR1432)
Drug Name
CS-011
Synonyms
R 106056; R-106056; Rivoglitazone; Rivoglitazone (USAN/INN); Rivoglitazone [USAN:INN]; SCHEMBL143498; XMSXOLDPMGMWTH-UHFFFAOYSA-N; (5s)-5-({4-[(6-Methoxy-1-Methyl-1h-Benzimidazol-2-Yl)methoxy]phenyl}methyl)-1,3-Thiazolidine-2,4-Dione; 185428-18-6; 5-[4-(6-Methoxy-1-Methylbenzimidazol-2-Ylmethoxy)-Benzyl]Thiazolidine-2,4-Dione; 5-[4-(6-methoxy-1-methyl-1H-benzimidazol-2-ylmethoxy)benzyl]thiazolidine-2,4-dione; AC1MHOZ3; ACM185428186; AN-17038; BCP06166; CHEMBL2104753; CS-011; D05739; DB09200; DE-101
Indication Diabetes mellitus [ICD11: 5A10] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 397.4 Topological Polar Surface Area 108
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
3055168
CAS Number
185428-18-6
TTD Drug ID
D08PFA
Formula
C20H19N3O4S
Canonical SMILES
CN1C2=C(C=CC(=C2)OC)N=C1COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
InChI
1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)
InChIKey
XMSXOLDPMGMWTH-UHFFFAOYSA-N
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
[3]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT00571519) Randomized, Double-blind, Active-controlled, Study of Rivoglitazone in Type 2 Diabetes Mellitus.
2 In vitro metabolism of rivoglitazone, a novel peroxisome proliferator-activated receptor gama agonist, in rat, monkey, and human liver microsomes and freshly isolated hepatocytes. Drug Metab Dispos. 2011 Jul;39(7):1311-9.
3 Effects of gemfibrozil, itraconazole, and their combination on the pharmacokinetics of pioglitazone. Clin Pharmacol Ther. 2005 May;77(5):404-14.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.