Details of the Drug

General Information of Drug (ID: DM2JPD4)

• Drug Name: NSC-93394
• Synonyms: 6-Fluoroflavone; 1218-82-2; 6-fluoro-2-phenyl-4h-chromen-4-one; 6-fluoro-2-phenylchromen-4-one; NSC-93394; CHEMBL61745; 4H-1-Benzopyran-4-one,6-fluoro-2-phenyl-; 6-Fluoroflavanone; NSC93394; 4l2g; AC1Q4OEB; SCHEMBL2427741; AC1L657S; CTK4B2868; DTXSID80294001; MolPort-001-776-694; ZINC135415; 6-Fluoro-2-phenyl-chromen-4-one; ZX-AP008247; 5994AH; PC6548; SBB099255; AKOS003623542; ZB004762; DB-041635; 6-Fluoro-2-phenyl-4H-1-benzopyran-4-one; KB-248702; KB-199446; FT-0633494; 4H-1-Benzopyran-4-one, 6-fluoro-2-phenyl-; A-7636; C-41230

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); 240.23
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H9FO2
  IUPAC Name: 6-fluoro-2-phenylchromen-4-one
  Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)F
  InChI: InChI=1S/C15H9FO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
  InChIKey: OUYOSBQKQPUNJK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 261395
  CAS Number: 1218-82-2
  TTD ID: D0C5XB

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).