Details of the Drug

General Information of Drug (ID: DMCLJ0M)

• Drug Name: PMID29473428-Compound-47
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 298.4
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C19H23FN2
  IUPAC Name: 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
  Canonical SMILES: C1CCC(CC1)C(CC2CC3=CC=CC=C3C4=CN=CN24)F
  InChI: InChI=1S/C19H23FN2/c20-18(14-6-2-1-3-7-14)11-16-10-15-8-4-5-9-17(15)19-12-21-13-22(16)19/h4-5,8-9,12-14,16,18H,1-3,6-7,10-11H2
  InChIKey: MCRCDKJVHBJTQP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 129072590
  TTD ID: D0N6UO

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.