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

General Information of Drug (ID: DR3293)
Drug Name
Managlinat dialanetil
Synonyms
CS-917; GP-3034; MB-05032; MB-06322; MB-06633; MB-6322; R-132917; Type 2 diabetes therapeutic, Gensia/Sankyo; Type 2 diabetes therapeutic, SICOR/Sankyo; Diabetes therapeutics, Metabasis/Sanyko/Daiichi Sankyo; Purine nucleotide analogs, Gensia/Sankyo/Daiichi Sankyo; Purine nucleotide analogs, Metabasis/Sanyko/Daiichi Sankyo; Purine nucleotide analogs, SICOR/Sankyo/Daiichi Sankyo
Indication Type-2 diabetes [ICD11: 5A11] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 484.6 Topological Polar Surface Area 157
Heavy Atom Count 32 Rotatable Bond Count 14
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
73014123
TTD Drug ID
D0G2ZL
Formula
C21H33N4O5PS
Canonical SMILES
CCOC(=O)[C@H](C)NP(C1=CC=C(O1)C2=C(SC(=N2)N)CC(C)C)N[C@@H](C)C(=O)OCC
InChI
InChI=1S/C21H33N4O5PS/c1-7-28-19(26)13(5)24-31(25-14(6)20(27)29-8-2)17-10-9-15(30-17)18-16(11-12(3)4)32-21(22)23-18/h9-10,12-14,24-25H,7-8,11H2,1-6H3,(H2,22,23)/t13-,14-/m0/s1
InChIKey
JGCMEVUWRCNKKE-KBPBESRZSA-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
R-134450 DM017354 N. A. Unclear - Unclear 1 [2]
R-125338 DM015744
11289630
Hydrolysis - Hydrolysis 2 [2]
R-143047 DM016135
50993442
Conjugation - N-acetylation 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008466 Managlinat dialanetil R-134450 Unclear - Unclear ES [2]
MR008467 R-134450 R-125338 Hydrolysis - Hydrolysis Unclear [2]
MR008468 R-125338 R-143047 Conjugation - N-acetylation Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Esterases (ES) DMEN229 Homo sapiens Not Available Not Available [2]
References
1 ClinicalTrials.gov (NCT00290940) Evaluation of Glucose Lowering Effect, Safety and Tolerability of CS-917. U.S. National Institutes of Health.
2 Population pharmacokinetic model for a novel oral hypoglycemic formed in vivo: comparing the use of active metabolite data alone versus using data of upstream and downstream metabolites

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