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
• #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: SKFLCXNDKRUHTA-UHFFFAOYSA-N
  InChIKey: 1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H
• Cross-matching ID:
  PubChem CID: 26731
  CAS Number: 14548-46-0
  INTEDE ID: DR1971

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]

References

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