Details of the Drug

General Information of Drug (ID: DMQCSFB)

Drug Name
ACMC-209cv7
Synonyms
Ketone, phenyl 4-pyridyl; Methanone, phenyl-4-pyridinyl-; Phenyl 4-pyridyl ketone; Phenyl(4-pyridinyl)methanone; Pyridine, 4-benzoyl-; SKFLCXNDKRUHTA-UHFFFAOYSA-N; WLN: T6NJ DVR; gamma-Benzoylpyridine; phenyl 4-pyridinyl ketone; phenyl(pyridin-4-yl)methanone; .gamma.-Benzoylpyridine; 14548-46-0; 4-Benzoylpyridine; 4-Benzoylpyridine, 98%; 4-Pyridyl phenyl ketone; ChemDiv2_000073; 4-benzoyl pyridine; 524YQ3O21T; AC1L1BRW; AC1Q5CWK; BRN 0003864; Ba 33215; EINECS 238-586-7; NSC 9488; UNII-524YQ3O21T
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 183.21
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C12H9NO
IUPAC Name
phenyl(pyridin-4-yl)methanone
Canonical SMILES
C1=CC=C(C=C1)C(=O)C2=CC=NC=C2
InChI
InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H
InChIKey
SKFLCXNDKRUHTA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
26731
CAS Number
14548-46-0
INTEDE ID
DR1971
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
NADPH-dependent carbonyl reductase 3 (CBR3)
Main DME 		DEIVKZ8 CBR3_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Different functions between human monomeric carbonyl reductase 3 and carbonyl reductase 1. Mol Cell Biochem. 2008 Aug;315(1-2):113-21.