Details of the Drug

General Information of Drug (ID: DMLV9UR)

• Drug Name: Bis-sulfonamide derivative 1
• Synonyms: PMID27977313-Compound-49
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 525.6
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C25H23N3O6S2
  IUPAC Name: N-[3,4-bis[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=CO3)NS(=O)(=O)C4=CC=C(C=C4)C
  InChI: InChI=1S/C25H23N3O6S2/c1-17-5-10-20(11-6-17)35(30,31)27-22-14-9-19(26-25(29)24-4-3-15-34-24)16-23(22)28-36(32,33)21-12-7-18(2)8-13-21/h3-16,27-28H,1-2H3,(H,26,29)
  InChIKey: CFHMKQXRBRHXQD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 75593317
  TTD ID: D0I2HK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytoplasmic thioredoxin reductase (TXNRD1)	TTR7UJ3	TRXR1_HUMAN	Inhibitor	[1]

References

• [1] Thioredoxin reductase inhibitors: a patent review.Expert Opin Ther Pat. 2017 May;27(5):547-556.