Details of the Drug

General Information of Drug (ID: DM0CWHT)

Drug Name
2-(2-Amino-phenyl)-6-methyl-chromen-4-one
Synonyms CHEMBL132035
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) 251.28
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H13NO2
IUPAC Name
2-(2-aminophenyl)-6-methylchromen-4-one
Canonical SMILES
CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3N
InChI
InChI=1S/C16H13NO2/c1-10-6-7-15-12(8-10)14(18)9-16(19-15)11-4-2-3-5-13(11)17/h2-9H,17H2,1H3
InChIKey
FGXFHSSFMRVHFP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11107795
TTD ID
D06PZU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABA(A) receptor. J Med Chem. 2002 Sep 12;45(19):4188-201.