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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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).