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
Structure
3D MOL 2D MOL
#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
CHEMBL3265256
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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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