Details of the Drug

General Information of Drug (ID: DM5FZDI)

Drug Name
6-Chloro-2-phenyl-chromen-4-one
Synonyms
6-chloroflavone; 10420-73-2; 6-Chloro-2-phenyl-4H-chromen-4-one; 6-Chloro-2-phenyl-chromen-4-one; MLS002701775; CHEMBL293478; 6-chloro-2-phenylchromen-4-one; NSC63999; 4l2f; AC1L6LIW; Maybridge4_000538; AC1Q3RN7; NCIOpen2_003001; Oprea1_047009; SCHEMBL4649891; ZINC58093; DTXSID10289783; MolPort-002-893-915; IFNDLWHUYFSXBK-UHFFFAOYSA-N; HMS1522I10; KS-000017VJ; MRS-1131; NSC621450; BDBM50051364; NSC-63999; 5979AH; AKOS000603599; MCULE-8596095757; MB00919; CCG-233377; NSC-621450; IDI1_031120; NCGC00177472-01; SMR001565369; ZB002315
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) 256.68
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H9ClO2
IUPAC Name
6-chloro-2-phenylchromen-4-one
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C15H9ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChIKey
IFNDLWHUYFSXBK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
248021
CAS Number
10420-73-2
TTD ID
D02CHG

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 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).