Details of the Drug

General Information of Drug (ID: DMO8UKD)

• Drug Name: Five-membered heteroaromatic compound 1
• Synonyms: PMID29473428-Compound-44
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 288.4
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H20N2OS
  IUPAC Name: 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl)ethanol
  Canonical SMILES: C1CCC(CC1)C(CC2C3=C(C=CS3)C4=CN=CN24)O
  InChI: InChI=1S/C16H20N2OS/c19-15(11-4-2-1-3-5-11)8-13-16-12(6-7-20-16)14-9-17-10-18(13)14/h6-7,9-11,13,15,19H,1-5,8H2
  InChIKey: ZPMZNNITKQQNAG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 130361031
  TTD ID: D05CNJ

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.