Details of the Drug

General Information of Drug (ID: DMTJRF3)

Drug Name

6-Bromo-2-(3-bromo-phenyl)-chromen-4-one

Synonyms

CHEMBL54878; 6,3'-Dibromoflavone; 3',6-Dibromoflavone; SCHEMBL6652108

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): 1

Molecular Weight (mw)

380.03

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H8Br2O2
IUPAC Name: 6-bromo-2-(3-bromophenyl)chromen-4-one
Canonical SMILES: C1=CC(=CC(=C1)Br)C2=CC(=O)C3=C(O2)C=CC(=C3)Br
InChI: InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H
InChIKey: UIPGLQFPZVUUQW-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	Synthesis of halogenated/nitrated flavone derivatives and evaluation of their affinity for the central benzodiazepine receptor, Bioorg. Med. Chem. Lett. 7(15):2003-2008 (1997).