General Information of Drug (ID: DMP8ZVS)

Drug Name
6-Bromo-2-(3-nitro-phenyl)-chromen-4-one
Synonyms 6-bromo-2-(3-nitrophenyl)chromen-4-one; AC1MVVK1; 6-bromo-3'-nitroflavone; 3'-Nitro-6-bromoflavone; CHEMBL54341
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) 346.13
Logarithm of the Partition Coefficient (xlogp) 4.5
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-(3-nitrophenyl)chromen-4-one
Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=O)C3=C(O2)C=CC(=C3)Br
InChI
InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H
InChIKey
IPHSQMSRIWZULE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3714237
TTD ID
D07CUW

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]
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).