Details of the Drug

General Information of Drug (ID: DM9FXU7)

Drug Name

MDL-27192

Synonyms

3-(4-Chlorophenyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one; 5-(4-Chlorophenyl)-4-ethyl-3,4-dihydro-2H-1,2,4-triazol-3-one

Indication

Disease Entry	ICD 11	Status	REF
Epileptic seizures	8A61-8A6Z	Phase 2	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

223.66

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C10H10ClN3O
IUPAC Name: 3-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazol-5-one
Canonical SMILES: CCN1C(=NNC1=O)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C10H10ClN3O/c1-2-14-9(12-13-10(14)15)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,13,15)
InChIKey: PXINDYJACXPZIN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-methyl-D-aspartate receptor (NMDAR)	TT9IK2Z	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005914)
2	Preclinical characterization of MDL 27,192 as a potential broad spectrum anticonvulsant agent with neuroprotective properties. Epilepsy Res. 1997 Apr;27(1):41-54.