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]
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
PubChem CID
35793
CAS Number
31409-32-2
TTD ID
D03RHZ

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]
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.