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

General Information of Drug (ID: DR3131)
Drug Name
PF9601N
Synonyms PF9601N; 133845-63-3; CHEMBL45069; FA-3; SYN5118; AOB1749; BDBM50087800; ZINC29405716; NCGC00370705-03; AS-16482
Indication Parkinsonism [ICD11: 8A00] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 290.4 Topological Polar Surface Area 37
Heavy Atom Count 22 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
9947954
TTD Drug ID
D0W7LO
Formula
C19H18N2O
Canonical SMILES
C#CCNCC1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
InChIKey
YFPNAYXYKXAKJC-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
FA72 DM015889
14905977
Oxidation - N-dealkylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009754 PF9601N FA72 Oxidation - N-dealkylation CYP3A43 [2]
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]
References
1 CYP-dependent metabolism of PF9601N, a new monoamine oxidase-B inhibitor, by C57BL/6 mouse and human liver microsomes. J Pharm Pharm Sci. 2007;10(4):473-85.
2 CYP-dependent metabolism of PF9601N, a new monoamine oxidase-B inhibitor, by C57BL/6 mouse and human liver microsomes

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