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

General Information of Drug (ID: DR0966)
Drug Name
CKD-501
Synonyms Lobeglitazone sulfate; SB16870; BDBM50152829; CHEMBL3780740; CKD 501; CKD-501
Indication Diabetes mellitus [ICD11: 5A10] Phase 3 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 578.6 Topological Polar Surface Area 211
Heavy Atom Count 39 Rotatable Bond Count 10
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 13
Cross-matching ID
PubChem CID
15951505
CAS Number
607723-33-1
TTD Drug ID
D04BCB
Formula
C24H26N4O9S2
Canonical SMILES
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=NC=N3)OC4=CC=C(C=C4)OC.OS(=O)(=O)O
InChI
1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4)
InChIKey
IFBYQAMJTBOBHB-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
CKD-501 metabolite M1 DM002531 N. A. Oxidation - Demethylation 1 [4]
CKD-501 metabolite M2 DM002533 N. A. Oxidation - N-Demethylation 1 [4]
CKD-501 metabolite M3 DM002534 N. A. Oxidation - Oxidation 1 [4]
CKD-501 metabolite M4 DM002535 N. A. Oxidation - N-Oxidation 1 [4]
Unclear DM009999 N. A. Unclear 1 [5]
CKD-501 metabolite M5 DM002532 N. A. Unclear 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000663 CKD-501 CKD-501 metabolite M1 Oxidation - Demethylation Unclear [4]
MR000664 CKD-501 CKD-501 metabolite M2 Oxidation - N-Demethylation Unclear [4]
MR000665 CKD-501 CKD-501 metabolite M3 Oxidation - Oxidation Unclear [4]
MR000666 CKD-501 CKD-501 metabolite M4 Oxidation - N-Oxidation Unclear [4]
MR000667 CKD-501 . Unclear Unclear [5]
MR000661 CKD-501 metabolite M1 CKD-501 metabolite M5 Unclear Unclear [4]
MR000662 CKD-501 metabolite M2 CKD-501 metabolite M5 Unclear Unclear [4]
⏷ 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
[3]
References
1 Tolerability and pharmacokinetics of lobeglitazone (CKD-501), a peroxisome proliferator-activated receptor-gamma agonist: a single- and multiple-dose, double-blind, randomized control study in healthy male Korean subjects. Clin Ther. 2011 Nov;33(11):1819-30.
2 Effects of gemfibrozil, itraconazole, and their combination on the pharmacokinetics of pioglitazone. Clin Pharmacol Ther. 2005 May;77(5):404-14.
3 Lack of the effect of lobeglitazone, a peroxisome proliferator-activated receptor-gamma agonist, on the pharmacokinetics and pharmacodynamics of warfarin. Drug Des Devel Ther. 2015 Mar 2;9:737-43.
4 The identification of lobeglitazone metabolites in rat liver microsomes and the kinetics of the in vivo formation of the major metabolite M1 in rats J Pharm Biomed Anal. 2015 Nov 10;115:375-82. doi: 10.1016/j.jpba.2015.07.040.
5 Kinetics of the Absorption, Distribution, Metabolism, and Excretion of Lobeglitazone, a Novel Activator of Peroxisome Proliferator-Activated Receptor Gamma in Rats J Pharm Sci. 2015 Sep;104(9):3049-59. doi: 10.1002/jps.24378.

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