Details of the Drug

General Information of Drug (ID: DM8VBU2)

• Drug Name: PMID29473428-Compound-80
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 252.7
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H13ClN4O
  IUPAC Name: N-[4-chloro-2-(2-methoxyethyl)phenyl]-2H-triazol-4-amine
  Canonical SMILES: COCCC1=C(C=CC(=C1)Cl)NC2=NNN=C2
  InChI: InChI=1S/C11H13ClN4O/c1-17-5-4-8-6-9(12)2-3-10(8)14-11-7-13-16-15-11/h2-3,6-7H,4-5H2,1H3,(H2,13,14,15,16)
  InChIKey: ZVGDDDHHESZRQT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 75202660
  TTD ID: D0Z5PM

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] A patent review of IDO1 inhibitors for cancer.Expert Opin Ther Pat. 2018 Apr;28(4):317-330.