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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL61745
CAS Number
1218-82-2
TTD ID
D0C5XB
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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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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).