Details of the Drug

General Information of Drug (ID: DMC60S8)

Drug Name

MDL-27531

Synonyms

4-Methyl-5-(methylsulfonyl)-3-phenyl-1,2,4-triazole

Indication

Disease Entry	ICD 11	Status	REF
Epilepsy	8A60-8A68	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

237.28

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H11N3O2S
IUPAC Name: 4-methyl-3-methylsulfonyl-5-phenyl-1,2,4-triazole
Canonical SMILES: CN1C(=NN=C1S(=O)(=O)C)C2=CC=CC=C2
InChI: InChI=1S/C10H11N3O2S/c1-13-9(8-6-4-3-5-7-8)11-12-10(13)16(2,14)15/h3-7H,1-2H3
InChIKey: DPGDRICHXKQXEN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycine receptor (GlyR)	TTZ8EM9	GLRA1_HUMAN ; GLRA2_HUMAN ; GLRA3_HUMAN ; GLRA4_HUMAN ; GLRB_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	MDL 27,531 reduces spontaneous hindlimb contractions in rats with chronic transections of the spinal cord. Neurosci Lett. 1992 Nov 23;147(1):101-5.