Details of the Drug

General Information of Drug (ID: DMMCNQI)

• Drug Name: 6-Bromo-2-phenyl-chromen-4-one
• Synonyms: 6-Bromoflavone; 1218-80-0; 6-bromo-2-phenyl-4H-chromen-4-one; 6-Bromo-2-phenyl-4H-1-benzopyran-4-one; 6-Bromo-2-phenyl-(4H)-4-benzopyranone; 6-bromo-2-phenylchromen-4-one; 6-Bromo-2-phenyl-chromen-4-one; ACMC-20alzx; AC1LAD8N; MLS002473413; CHEMBL52825; SCHEMBL4449962; ZINC58081; DTXSID00332792; HMS3343M11; HMS2224K05; 5956AH; MFCD00276169; AKOS015889624; MCULE-7797339727; ZB002311; ST059081; SMR001397504; KB-247810; TX-017285; 4H-1-Benzopyran-4-one, 6-bromo-2-phenyl-; K-1651; 6-Bromo-2-phenyl-(4H)-4-benzopyranone, 97%

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 301.13
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H9BrO2
  IUPAC Name: 6-bromo-2-phenylchromen-4-one
  Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Br
  InChI: InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
  InChIKey: LPOZDKMXSPAATL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 466276
  CAS Number: 1218-80-0
  TTD ID: D0S6GS

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]

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).