Details of the Drug

General Information of Drug (ID: DMCX3TM)

Drug Name

6-Bromo-2-(4-nitro-phenyl)-chromen-4-one

Synonyms

CHEMBL55023; 6-bromo-4'-nitroflavone; SCHEMBL4990126; GMVMGIYPRPPNMB-UHFFFAOYSA-N; ZINC29544424

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)

346.13

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H8BrNO4
IUPAC Name: 6-bromo-2-(4-nitrophenyl)chromen-4-one
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)Br)[N+](=O)[O-]
InChI: InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H
InChIKey: GMVMGIYPRPPNMB-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	6-Bromo-3 nitroflavone, a new high affinity benzodiazepine receptor agonist recognizes two populations of cerebral cortical binding sites, Bioorg. Med. Chem. Lett. 7(3):373-378 (1997).