Details of the Drug

General Information of Drug (ID: DMWF4HX)

• Drug Name: 5-phenyl-1H-1,2,3-triazole
• Synonyms: 1680-44-0; 5-phenyl-1H-1,2,3-triazole; 4-Phenyl-1H-1,2,3-triazole; 4-Phenyl-1H-[1,2,3]triazole; 4-Phenyl-1,2,3-triazole; 1H-1,2,3-Triazole, 4-phenyl-; 4-phenyl-2H-triazole; v-Triazole, 4-phenyl-; 4-phenyl-2H-[1,2,3]triazole; LUEYUHCBBXWTQT-UHFFFAOYSA-N; 4-phenyl-1h-1,2,3,-triazole; 5-Phenyl-1H-[1,2,3]triazole; 112614-96-7; phenyltriazole; 4-phenyltriazole; NSC83125; SCHEMBL9868; AC1L3A0F; 5-phenyl-1,2,3-triazole; SCHEMBL8221447; CHEMBL193664; 1,2,3-triazole analogue, 4; 1,2,3-Triazole, 4-phenyl-; ZINC27320; BDBM17448; CTK4D2851

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 145.16
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C8H7N3
  IUPAC Name: 4-phenyl-2H-triazole
  Canonical SMILES: C1=CC=C(C=C1)C2=NNN=C2
  InChI: InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
  InChIKey: LUEYUHCBBXWTQT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 137153
  CAS Number: 1680-44-0
  TTD ID: D0O3IE

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]

References

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