Details of the Drug

General Information of Drug (ID: DM2C9X8)

• Drug Name: 3-phenyl-4-hydroxyquinolin-2(1H)-one
• Synonyms: 14933-29-0; 3-Phenyl-2,4-quinolinediol; 3-phenyl-4-hydroxyquinolin-2(1H)-one; 2,4-Dihydroxy-3-phenylquinoline; NSC16582; UNII-98SFL4LU2U; 98SFL4LU2U; 3-phenylquinoline-2,4-diol; CHEMBL324519; 4-hydroxy-3-phenylquinolin-2(1H)-one; 4-Hydroxy-3-phenyl-1H-quinolin-2-one; 2,4-quinolinediol, 3-phenyl-; NSC 16582; Maybridge1_005460; AC1L5EN7; Oprea1_589873; MLS000850648; DivK1c_001748; SCHEMBL625364; AC1Q6B83; HMS557A04; CTK4C6143; DTXSID90164221; MolPort-002-043-580; MolPort-000-808-473; HMS2269O16; NSC-16582; BDBM50001260; STK587488

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 237.25
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H11NO2
  IUPAC Name: 4-hydroxy-3-phenyl-1H-quinolin-2-one
  Canonical SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)O
  InChI: InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18)
  InChIKey: WNISVGSZMGXKHE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 54677756
  CAS Number: 14933-29-0
  TTD ID: D0W0VK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

References

• [1] Synthesis of thieno[2,3-b]pyridinones acting as cytoprotectants and as inhibitors of [3H]glycine binding to the N-methyl-D-aspartate (NMDA) receptor. J Med Chem. 2006 Feb 9;49(3):864-71.