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

General Information of Drug (ID: DR3201)
Drug Name
PF-04991532
Synonyms .
Indication Diabetic complication [ICD11: 5A2Y] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 396.4 Topological Polar Surface Area 97.1
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
46181428
CAS Number
1215197-37-7
TTD Drug ID
D0C6MS
Formula
C18H19F3N4O3
Canonical SMILES
C1CCC(C1)C[C@@H](C(=O)NC2=NC=C(C=C2)C(=O)O)N3C=C(N=C3)C(F)(F)F
InChI
InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
InChIKey
GKMLFBRLRVQVJO-ZDUSSCGKSA-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-04991532 metabolite M1 DM017243 N. A. Conjugation - Glucuronidation 1 [2]
PF-04991532 metabolite M3 DM014980
18496
Unclear - Unclear 1 [2]
PF-04991532 metabolite M4 DM017244 N. A. Oxidation - Hydroxylation 1 [2]
PF-04991532 metabolite M5 DM017245 N. A. Oxidation - Hydroxylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008324 PF-04991532 PF-04991532 metabolite M1 Conjugation - Glucuronidation Unclear [2]
MR008325 PF-04991532 PF-04991532 metabolite M3 Unclear - Unclear Unclear [2]
MR008326 PF-04991532 PF-04991532 metabolite M4 Oxidation - Hydroxylation CYP3A4 [2]
MR008327 PF-04991532 PF-04991532 metabolite M5 Oxidation - Hydroxylation CYP3A4 [2]
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]
References
1 ClinicalTrials.gov (NCT01338870) Study of Safety and Efficacy of PF-04991532 in Subjects With Type 2 Diabetes. U.S. National Institutes of Health.
2 Metabolism and excretion of (S)-6-(3-cyclopentyl-2-(4-trifluoromethyl)-1H-imidazol-1-yl)propanamido)nicotinic acid (PF-04991532), a hepatoselective glucokinase activator, in humans: confirmation of the MIST potential noted in first-in-Human metabolite scouting studies

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