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

General Information of Drug (ID: DR3192)
Drug Name
PF-00734200
Synonyms
GOSOGLIPTIN; 869490-23-3; UNII-GI718UO477; PF-00734200; PF-734200; CHEMBL515387; GI718UO477; 2-(4-{(3s,5s)-5-[(3,3-Difluoropyrrolidin-1-Yl)carbonyl]pyrrolidin-3-Yl}piperazin-1-Yl)pyrimidine; 869490-47-1; (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone; (3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone; (3,3-DIFLUOROPYRROLIDIN-1-YL)[(2S,4S)-4-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]PYRROLIDIN-2-YL]METHANONE; Gosogliptin [USAN:
Indication Type-2 diabetes [ICD11: 5A11] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 366.4 Topological Polar Surface Area 64.599
Heavy Atom Count 26 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
11516136
CAS Number
869490-23-3
TTD Drug ID
D07HZG
Formula
C17H24F2N6O
Canonical SMILES
C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2)N3CCN(CC3)C4=NC=CC=N4
InChI
InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
InChIKey
QWEWGXUTRTXFRF-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
PF-00734200 metabolite M1 DM017266 N. A. Unclear 1 [2]
PF-00734200 metabolite M10 DM017267 N. A. Unclear 1 [2]
PF-00734200 metabolite M11 DM017261 N. A. Unclear 1 [2]
PF-00734200 metabolite M12 DM017268 N. A. Unclear 1 [2]
PF-00734200 metabolite M13 DM017262 N. A. Unclear 1 [2]
PF-00734200 metabolite M14 DM017269 N. A. Unclear 1 [2]
PF-00734200 metabolite M15 DM017263 N. A. Conjugation - Glucosidation 1 [2]
PF-00734200 metabolite M17 DM017273 N. A. Unclear 1 [2]
PF-00734200 metabolite M18 DM017264 N. A. Unclear 1 [2]
PF-00734200 metabolite M2 DM017265 N. A. Hydrolysis - Amide hydrolysis 1 [2]
PF-00734200 metabolite M3 DM000702
88747
Oxidation - N-dealkylation 1 [2]
PF-00734200 metabolite M5 DM017258 N. A. Unclear 1 [2]
PF-00734200 metabolite M7 DM017270 N. A. Unclear 1 [2]
PF-00734200 metabolite M8 DM017272 N. A. Unclear 1 [2]
PF-00734200 metabolite M9 DM017271 N. A. Conjugation - Carbamoyl glucuronidation 1 [2]
PF-00734200 metabolite M4 DM017259 N. A. Unclear 2 [2]
PF-00734200 metabolite M6 DM017260 N. A. Unclear 2 [2]
⏷ Show the Full List of 17  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013716 PF-00734200 PF-00734200 metabolite M5 Unclear CYP2D6 ... [2]
MR013719 PF-00734200 PF-00734200 metabolite M11 Unclear Unclear [2]
MR013722 PF-00734200 PF-00734200 metabolite M13 Unclear Unclear [2]
MR013723 PF-00734200 PF-00734200 metabolite M15 Conjugation - Glucosidation Unclear [2]
MR013724 PF-00734200 PF-00734200 metabolite M18 Unclear Unclear [2]
MR013725 PF-00734200 PF-00734200 metabolite M2 Hydrolysis - Amide hydrolysis Unclear [2]
MR013726 PF-00734200 PF-00734200 metabolite M1 Unclear Unclear [2]
MR013727 PF-00734200 PF-00734200 metabolite M10 Unclear Unclear [2]
MR013728 PF-00734200 PF-00734200 metabolite M3 Oxidation - N-dealkylation Unclear [2]
MR013729 PF-00734200 PF-00734200 metabolite M12 Unclear Unclear [2]
MR013730 PF-00734200 PF-00734200 metabolite M14 Unclear Unclear [2]
MR013731 PF-00734200 PF-00734200 metabolite M7 Unclear Unclear [2]
MR013732 PF-00734200 PF-00734200 metabolite M9 Conjugation - Carbamoyl glucuronidation Unclear [2]
MR013733 PF-00734200 PF-00734200 metabolite M8 Unclear Unclear [2]
MR013734 PF-00734200 PF-00734200 metabolite M17 Unclear Unclear [2]
MR013720 PF-00734200 metabolite M11 PF-00734200 metabolite M4 Unclear Unclear [2]
MR013721 PF-00734200 metabolite M11 PF-00734200 metabolite M6 Unclear Unclear [2]
MR013717 PF-00734200 metabolite M5 PF-00734200 metabolite M4 Unclear Unclear [2]
MR013718 PF-00734200 metabolite M5 PF-00734200 metabolite M6 Unclear Unclear [2]
⏷ Show the Full List of 19 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7413).
2 Metabolism, excretion, and pharmacokinetics of ((3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone, a dipeptidyl peptidase inhibitor, in rat, dog and human

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