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
  ChEBI ID: CHEMBL193664
  CAS Number: 1680-44-0
  TTD ID: D0O3IE
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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.