Details of the Drug

General Information of Drug (ID: DMKQFTY)

• Drug Name: Pyridino tricyclic compound 1
• Synonyms: PMID29473428-Compound-42
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 283.37
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H21N3O
  IUPAC Name: 1-cyclohexyl-2-(4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol
  Canonical SMILES: C1CCC(CC1)C(CC2C3=C(C=NC=C3)C4=CN=CN24)O
  InChI: InChI=1S/C17H21N3O/c21-17(12-4-2-1-3-5-12)8-15-13-6-7-18-9-14(13)16-10-19-11-20(15)16/h6-7,9-12,15,17,21H,1-5,8H2
  InChIKey: PCYLWVWPFZLSAJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121288581
  TTD ID: D0MO3W

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.