Details of the Drug

General Information of Drug (ID: DMYOCFX)

Drug Name
4-Bromo-3-hydroxy-1H-quinolin-2-one
Synonyms
2(1H)-Quinolinone, 4-bromo-3-hydroxy-; CHEMBL146520; SCHEMBL15690621; BSYFERFWIZPSKL-UHFFFAOYSA-N; BDBM247011; 4-Bromo-3-hydroxyquinolin-2(1H)-one; 4-Bromo-3-hydroxyquinoline-2(1H)-one; 176170-14-2; US9701638, 2
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) 240.05
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H6BrNO2
IUPAC Name
4-bromo-3-hydroxy-1H-quinolin-2-one
Canonical SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)O)Br
InChI
InChI=1S/C9H6BrNO2/c10-7-5-3-1-2-4-6(5)11-9(13)8(7)12/h1-4,12H,(H,11,13)
InChIKey
BSYFERFWIZPSKL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44364603
TTD ID
D00KGK

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 3-Hydroxy-quinolin-2-ones: Inhibitors of [3H]-glycine binding to the site associated with the NMDA receptor, Bioorg. Med. Chem. Lett. 6(5):499-504 (1996).