Details of the Drug

General Information of Drug (ID: DMRKWPQ)

• Drug Name: PMID29473428-Compound-60
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 492
  Logarithm of the Partition Coefficient (xlogp); 6
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C25H31ClFN3O4
  IUPAC Name: 2-[3-[(4-chloro-2-fluorophenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenoxy]acetic acid
  Canonical SMILES: CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)OCC(=O)O)NC(=O)NC3=C(C=C(C=C3)Cl)F
  InChI: InChI=1S/C25H31ClFN3O4/c1-16(2)14-30(18-6-4-3-5-7-18)23-11-9-19(34-15-24(31)32)13-22(23)29-25(33)28-21-10-8-17(26)12-20(21)27/h8-13,16,18H,3-7,14-15H2,1-2H3,(H,31,32)(H2,28,29,33)
  InChIKey: TVQUEBMGNJZEOT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 124158753
  TTD ID: D0K4KM

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.