Details of the Drug

General Information of Drug (ID: DMFWVJI)

Drug Name

4-(1H-1,2,3-triazol-5-yl)pyridine

Synonyms

(4-pyridyl)triazole; 4-(1H-1,2,3-triazol-5-yl)pyridine; SCHEMBL4806159; CHEMBL364898; ZINC27317; BDBM17472; 1,2,3-triazole analogue, 28; AKOS027406024

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)

146.15

Logarithm of the Partition Coefficient (xlogp)

0.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C7H6N4
IUPAC Name: 4-(2H-triazol-4-yl)pyridine
Canonical SMILES: C1=CN=CC=C1C2=NNN=C2
InChI: InChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
InChIKey: KEFBRERBEDJOQZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9942176
TTD ID: D0UV8T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Rational design of indoleamine 2,3-dioxygenase inhibitors. J Med Chem. 2010 Feb 11;53(3):1172-89.