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

General Information of Drug (ID: DR3454)
Drug Name
Gemigliptin
Synonyms
911637-19-9; UNII-5DHU18M5D6; 5DHU18M5D6; (S)-1-(2-Amino-4-(2,4-bis(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)-4-oxobutyl)-5,5-difluoropiperidin-2-one; (S)-1-(2-amino-4-(2,4-bis(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)-4-oxobutyl)-5,5-difluoropiperidin-2-one; Gemigliptin [INN]; Gemigliptin (prop.INN); SCHEMBL1262740; CHEMBL3707235; CHEBI:134731; ZINC68245464; AKOS025290873; PB11419; DB12412; API0013914; AK170799; 2-Piperidinone, 1-((2S)-2-amino-4-(5,8-dihydro-2,4-
Indication Diabetic complication [ICD11: 5A2Y] Phase 3 [1]
Type-2 diabetes [ICD11: ICD11: 5A11] Phase 3 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 489.4 Topological Polar Surface Area 92.4
Heavy Atom Count 33 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 13
Cross-matching ID
PubChem CID
11953153
ChEBI ID
CHEBI:134731
CAS Number
911637-19-9
TTD Drug ID
D0ZD3C
Formula
C18H19F8N5O2
Canonical SMILES
C1CC(CN(C1=O)C[C@H](CC(=O)N2CCC3=C(C2)N=C(N=C3C(F)(F)F)C(F)(F)F)N)(F)F
InChI
InChI=1S/C18H19F8N5O2/c19-16(20)3-1-12(32)31(8-16)6-9(27)5-13(33)30-4-2-10-11(7-30)28-15(18(24,25)26)29-14(10)17(21,22)23/h9H,1-8,27H2/t9-/m0/s1
InChIKey
ZWPRRQZNBDYKLH-VIFPVBQESA-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
LC15-0516 DM019126 N. A. Unclear - Unclear 1 [3]
LC15-0635 DM016072
44126237
Unclear - Unclear 1 [3]
LC15-0636 DM016067
42635875
Unclear - Unclear 1 [3]
M5032 DM019128 N. A. Unclear - Unclear 1 [3]
M5051 DM019124 N. A. Unclear - Unclear 1 [3]
M5191 DM019131 N. A. Unclear - Unclear 1 [3]
M5192 DM019132 N. A. Unclear - Unclear 1 [3]
M5211,M5212 DM019130 N. A. Unclear - Unclear 1 [3]
M5351 DM019129 N. A. Unclear - Unclear 1 [3]
M4873 DM019127 N. A. Unclear - Unclear 2 [3]
M5213 DM019125 N. A. Unclear - Unclear 2 [3]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011583 Gemigliptin M5051 Unclear - Unclear Unclear [3]
MR011585 Gemigliptin LC15-0516 Unclear - Unclear Unclear [3]
MR011587 Gemigliptin LC15-0635 Unclear - Unclear Unclear [3]
MR011588 Gemigliptin LC15-0636 Unclear - Unclear CYP3A4 [3]
MR011589 Gemigliptin M5032 Unclear - Unclear Unclear [3]
MR011590 Gemigliptin M5351 Unclear - Unclear Unclear [3]
MR011591 Gemigliptin M5211,M5212 Unclear - Unclear Unclear [3]
MR011592 Gemigliptin M5191 Unclear - Unclear Unclear [3]
MR011593 Gemigliptin M5192 Unclear - Unclear Unclear [3]
MR011586 LC15-0516 M4873 Unclear - Unclear Unclear [3]
MR011584 M5051 M5213 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 11 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
[3]
References
1 ClinicalTrials.gov (NCT01990469) Efficacy and Safety of Gemigliptin 50mg qd Added in Patients With Type 2 Diabetes Inadequately Controlled on Glimepiride and Metformin. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Absorption, metabolism and excretion of [14C]gemigliptin, a novel dipeptidyl peptidase 4 inhibitor, in humans

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