Details of the Drug

General Information of Drug (ID: DMT2S9U)

• Drug Name: 4-(4-benzyl-1H-1,2,3-triazol-1-yl)phenol
• Synonyms: CHEMBL1288977

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); 251.28
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H13N3O
  IUPAC Name: 4-(4-benzyltriazol-1-yl)phenol
  Canonical SMILES: C1=CC=C(C=C1)CC2=CN(N=N2)C3=CC=C(C=C3)O
  InChI: InChI=1S/C15H13N3O/c19-15-8-6-14(7-9-15)18-11-13(16-17-18)10-12-4-2-1-3-5-12/h1-9,11,19H,10H2
  InChIKey: ZSQDQVRTOOCIEW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 52947733
  TTD ID: D0G2XI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MIF messenger RNA (MIF mRNA)	TT6804T	MIF_HUMAN	Inhibitor	[1]

References

• [1] Receptor agonists of macrophage migration inhibitory factor. Bioorg Med Chem Lett. 2010 Dec 1;20(23):7033-6.