Details of the Drug

General Information of Drug (ID: DMAKW2S)

• Drug Name: Thiophene sulfonamide
• Synonyms: MLS000048634; AC1O9WJ4; AC1NX3H6; AC1NT7F3; N-(2-hydroxybenzylidene)-2-thiophenesulfonamide; CHEMBL3193745; MolPort-035-831-874; MolPort-000-689-338; CCG-13754; AKOS001033013; SMR000060871; ST021762; BIM-0024487P001; SR-01000030268; AS-871/40346888; SR-01000030268-1; 2-{[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]sulfonyl}thiophene; N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]thiophene-2-sulfonamide; N-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]thiophene-2-sulfonamide

Indication

Disease Entry	ICD 11	Status	REF
Malaria	1F40-1F45	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 163.2
  Logarithm of the Partition Coefficient (xlogp); -0.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C4H5NO2S2
  IUPAC Name: thiophene-2-sulfonamide
  Canonical SMILES: C1=CSC(=C1)S(=O)(=O)N
  InChI: InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
  InChIKey: KTFDYVNEGTXQCV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72881
  ChEBI ID: CHEBI:79403
  CAS Number: 6339-87-3
  TTD ID: D0W1NH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium CDK Pfmrk (Malaria Pfmrk)	TTSFWA7	P90584_PLAFA	Inhibitor	[1]

References

• [1] Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.