Details of the Drug

General Information of Drug (ID: DMX9J1C)

• Drug Name: Acyl piperidine derivative 1
• Synonyms: PMID29473428-Compound-31
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 393.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C24H31N3O2
  IUPAC Name: cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone
  Canonical SMILES: C1CCC(CC1)C(=O)N2CCC(CC2)C(CC3C4=CC=CC=C4C5=CN=CN35)O
  InChI: InChI=1S/C24H31N3O2/c28-23(14-21-19-8-4-5-9-20(19)22-15-25-16-27(21)22)17-10-12-26(13-11-17)24(29)18-6-2-1-3-7-18/h4-5,8-9,15-18,21,23,28H,1-3,6-7,10-14H2
  InChIKey: FDUHADIZUWTWAZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 70874141
  TTD ID: D0QZ8K

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.