Details of the Drug

General Information of Drug (ID: DMV859W)

Drug Name

3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole

Synonyms

CHEMBL1079001; 3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole; SCHEMBL11589338

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)

251.29

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H13N5
IUPAC Name: 2-methyl-4-[3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]pyridine
Canonical SMILES: CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=NC=C3)C
InChI: InChI=1S/C14H13N5/c1-9-7-11(3-5-15-9)13-17-14(19-18-13)12-4-6-16-10(2)8-12/h3-8H,1-2H3,(H,17,18,19)
InChIKey: VTUBKJFCLVZEFR-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Xanthine dehydrogenase/oxidase (XDH)	TT7RJY8	XDH_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of 3-(2-cyano-4-pyridyl)-5-(4-pyridyl)-1,2,4-triazole, FYX-051 - a xanthine oxidoreductase inhibitor for the treatment of hyperuricemia [... Bioorg Med Chem Lett. 2009 Nov 1;19(21):6225-9.