Details of the Drug

General Information of Drug (ID: DMJ4TZX)

• Drug Name: Biphenyl derivative 2
• Synonyms: PMID29473428-Compound-56
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 540
  Logarithm of the Partition Coefficient (xlogp); 6.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C29H31ClFN3O4
  IUPAC Name: 2-[3-[(4-chloro-2-fluorophenyl)carbamoylamino]-4-[cyclohexyl(2-methoxyethyl)amino]phenyl]benzoic acid
  Canonical SMILES: COCCN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC(=O)NC4=C(C=C(C=C4)Cl)F
  InChI: InChI=1S/C29H31ClFN3O4/c1-38-16-15-34(21-7-3-2-4-8-21)27-14-11-19(22-9-5-6-10-23(22)28(35)36)17-26(27)33-29(37)32-25-13-12-20(30)18-24(25)31/h5-6,9-14,17-18,21H,2-4,7-8,15-16H2,1H3,(H,35,36)(H2,32,33,37)
  InChIKey: KUVXHGKRYSVGPP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121474565
  TTD ID: D0L4GL

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.