Details of the Drug

General Information of Drug (ID: DMG4WQB)

• Drug Name: Biphenyl derivative 1
• Synonyms: PMID29473428-Compound-55
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 510.7
  Logarithm of the Partition Coefficient (xlogp); 7.2
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C31H38N6O
  IUPAC Name: 2-(4-methylphenyl)-N-[2-[2-methylpropyl(pentan-3-yl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide
  Canonical SMILES: CCC(CC)N(CC(C)C)C1=C(C=C(C=C1)C2=CC=CC=C2C3=NNN=N3)NC(=O)CC4=CC=C(C=C4)C
  InChI: InChI=1S/C31H38N6O/c1-6-25(7-2)37(20-21(3)4)29-17-16-24(26-10-8-9-11-27(26)31-33-35-36-34-31)19-28(29)32-30(38)18-23-14-12-22(5)13-15-23/h8-17,19,21,25H,6-7,18,20H2,1-5H3,(H,32,38)(H,33,34,35,36)
  InChIKey: CERFYCIXDOVMJH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121354643
  TTD ID: D0OZ8W

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.