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]
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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

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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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).