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
Structure
3D MOL 2D MOL
#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
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.