Details of the Drug

General Information of Drug (ID: DMS0169)

• Drug Name: Indole and benzimidazole derivative 1
• Synonyms: PMID26560362-Compound-15
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 453.5
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H17F2N3O3S
  IUPAC Name: 3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]benzoic acid
  Canonical SMILES: COC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3N2)F)F)NC(=S)NC4=CC=CC(=C4)C(=O)O
  InChI: InChI=1S/C23H17F2N3O3S/c1-31-21-6-5-12(18-10-14-8-16(24)17(25)11-19(14)27-18)9-20(21)28-23(32)26-15-4-2-3-13(7-15)22(29)30/h2-11,27H,1H3,(H,29,30)(H2,26,28,32)
  InChIKey: WDBLIHVXAGLYCZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10297819
  TTD ID: D02AAR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 15-lipoxygenase (15-LOX)	TTN9T81	LOX15_HUMAN	Not Available	[1]

References

• [1] 15-Lipoxygenase inhibitors: a patent review.Expert Opin Ther Pat. 2016;26(1):65-88.