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

General Information of Drug (ID: DR3101)
Drug Name
DA-1229
Synonyms DPP-IV inhibitor (tablet, type II diabetes), Dong-A
Indication Type-2 diabetes [ICD11: 5A11] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 401.4 Topological Polar Surface Area 84.7
Heavy Atom Count 28 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
25022354
CAS Number
1222102-29-5
TTD Drug ID
D05LPW
Formula
C19H26F3N3O3
Canonical SMILES
CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](CC2=CC(=C(C=C2F)F)F)N
InChI
InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1
InChIKey
LCDDAGSJHKEABN-MLGOLLRUSA-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
4R-Hydroxyevogliptin DM017343 N. A. Oxidation - Hydroxylation 1 [2]
4S-Hydroxyevogliptin DM017340 N. A. Oxidation - Hydroxylation 1 [2]
Evogliptin sulfate DM017344 N. A. Conjugation - Sulfation 1 [2]
4-Oxoevogliptin DM017342 N. A. Unclear - Unclear 2 [2]
4S-Hydroxyevogliptin glucuronide DM017341 N. A. Conjugation - Glucuronidation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008451 DA-1229 4S-Hydroxyevogliptin Oxidation - Hydroxylation CYP3A4 ... [2]
MR008454 DA-1229 4R-Hydroxyevogliptin Oxidation - Hydroxylation CYP3A4 ... [2]
MR008456 DA-1229 Evogliptin sulfate Conjugation - Sulfation Unclear [2]
MR008455 4R-Hydroxyevogliptin 4-Oxoevogliptin Unclear - Unclear Unclear [2]
MR008452 4S-Hydroxyevogliptin 4S-Hydroxyevogliptin glucuronide Conjugation - Glucuronidation UGT2B4 ... [2]
MR008453 4S-Hydroxyevogliptin 4-Oxoevogliptin Unclear - Unclear Unclear [2]
⏷ Show the Full List of 6 MR(s)
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
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
UDP-glucuronosyltransferase 2B4 (UGT2B4) DME0047 Homo sapiens
UD2B4_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT00961025) A Study to Characterize the Pharmacokinetics/Pharmacodynamics and Effect of Food of DA-1229 in Healthy Male Subjects. U.S. National Institutes of Health.
2 In Vitro Metabolic Pathways of the New Anti-Diabetic Drug Evogliptin in Human Liver Preparations

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