Details of the Drug

General Information of Drug (ID: DMMV5KI)

• Drug Name: PMID29473428-Compound-70
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 427.9
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C23H23ClFN3O2
  IUPAC Name: N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide
  Canonical SMILES: CC(C(=O)NC1=CC=C(C=C1)Cl)N2CCC(CC2)OC3=C4C=C(C=CC4=NC=C3)F
  InChI: InChI=1S/C23H23ClFN3O2/c1-15(23(29)27-18-5-2-16(24)3-6-18)28-12-9-19(10-13-28)30-22-8-11-26-21-7-4-17(25)14-20(21)22/h2-8,11,14-15,19H,9-10,12-13H2,1H3,(H,27,29)
  InChIKey: JOMPEBQANPZAPO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121318124
  TTD ID: D0U3KX

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.