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]
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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

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]

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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.