Details of the Drug

General Information of Drug (ID: DMKRUPW)

• Drug Name: PMID29473428-Compound-39
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 302.4
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H20F2N2
  IUPAC Name: 5-(2-cyclohexyl-2-fluoroethyl)-6-fluoro-5H-imidazo[5,1-a]isoindole
  Canonical SMILES: C1CCC(CC1)C(CC2C3=C(C=CC=C3F)C4=CN=CN24)F
  InChI: InChI=1S/C18H20F2N2/c19-14-8-4-7-13-17-10-21-11-22(17)16(18(13)14)9-15(20)12-5-2-1-3-6-12/h4,7-8,10-12,15-16H,1-3,5-6,9H2
  InChIKey: OHWIXLJBJCDWBA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118916909
  TTD ID: D02XQE

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	Antagonist	[1]

References

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