Details of the Drug

General Information of Drug (ID: DMYGRS9)

Drug Name
2-(4-chlorophenyl)-5-phenyl-4-isoxazolin-3-one
Synonyms CHEMBL203853
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) 271.7
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H10ClNO2
IUPAC Name
2-(4-chlorophenyl)-5-phenyl-1,2-oxazol-3-one
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=O)N(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO2/c16-12-6-8-13(9-7-12)17-15(18)10-14(19-17)11-4-2-1-3-5-11/h1-10H
InChIKey
DWRJXWOCTFGHCE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11543610
TTD ID
D0O9SG
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
GABA(A) receptor beta-2 (GABRB2) TTZA1NY GBRB2_HUMAN Inhibitor [1]
GABA(A) receptor gamma-2 (GABRG2) TT06RH5 GBRG2_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, pharmacology, and structure-activity relationships of novel imidazolones and pyrrolones as modulators of GABAA receptors. J Med Chem. 2006 Mar 23;49(6):1855-66.