Details of the Drug

General Information of Drug (ID: DMO7ZRW)

• Drug Name: Sulfamoylamide derivative 1
• Synonyms: PMID29473428-Compound-61
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 598.1
  Logarithm of the Partition Coefficient (xlogp); 5.3
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C27H37ClFN5O5S
  IUPAC Name: 2-[3-[(4-chloro-2-fluorophenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenoxy]-N-(dimethylsulfamoyl)acetamide
  Canonical SMILES: CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)OCC(=O)NS(=O)(=O)N(C)C)NC(=O)NC3=C(C=C(C=C3)Cl)F
  InChI: InChI=1S/C27H37ClFN5O5S/c1-18(2)16-34(20-8-6-5-7-9-20)25-13-11-21(39-17-26(35)32-40(37,38)33(3)4)15-24(25)31-27(36)30-23-12-10-19(28)14-22(23)29/h10-15,18,20H,5-9,16-17H2,1-4H3,(H,32,35)(H2,30,31,36)
  InChIKey: GXQLSHAYKCFGCU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 124158767
  TTD ID: D0F3VN

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.