Details of the Drug

General Information of Drug (ID: DM2QJ5A)

Drug Name
4-Bromo-5,7-dichloro-3-hydroxy-1H-quinolin-2-one
Synonyms CHEMBL147398
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) 308.94
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H4BrCl2NO2
IUPAC Name
4-bromo-5,7-dichloro-3-hydroxy-1H-quinolin-2-one
Canonical SMILES
C1=C(C=C(C2=C1NC(=O)C(=C2Br)O)Cl)Cl
InChI
InChI=1S/C9H4BrCl2NO2/c10-7-6-4(12)1-3(11)2-5(6)13-9(15)8(7)14/h1-2,14H,(H,13,15)
InChIKey
HDPAPMXBVVKNAQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44364764
TTD ID
D0D5HM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
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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).