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

General Information of Drug (ID: DR3340)
Drug Name
PF-04937319
Synonyms .
Indication Type-2 diabetes [ICD11: 5A11] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 432.4 Topological Polar Surface Area 123
Heavy Atom Count 32 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
46916694
CAS Number
1245603-92-2
TTD Drug ID
D0M5PH
Formula
C22H20N6O4
Canonical SMILES
CC1=CC2=C(O1)C=C(C=C2OC3=CN=C(N=C3)C(=O)N(C)C)C(=O)NC4=NC=C(N=C4)C
InChI
InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)
InChIKey
MASKQITXHVYVFL-UHFFFAOYSA-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-04937319 Metabolite M1 DM016253
67133502
Oxidation - N-demethylation 1 [3]
PF-04937319 Metabolite M3a DM018390 N. A. Oxidation - Hydroxylation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010398 PF-04937319 PF-04937319 Metabolite M1 Oxidation - N-demethylation CYP3A4 ... [3]
MR010399 PF-04937319 Metabolite M1 PF-04937319 Metabolite M3a Oxidation - Hydroxylation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[3]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[3]
References
1 ClinicalTrials.gov (NCT01517373) Study To Understand Efficacy And Safety Of Investigational Agent (PF-04937319) Compared To Approved Agent (Glimepiride) In Patients With Diabetes On Metformin. U.S. National Institutes of Health.
2 Metabolites in safety testing assessment in early clinical development: a case study with a glucokinase activator
3 Simulation of human plasma concentration-time profiles of the partial glucokinase activator PF-04937319 and its disproportionate N-demethylated metabolite using humanized chimeric mice and semi-physiological pharmacokinetic modeling

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