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

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
2	A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different class... J Med Chem. 2004 Oct 21;47(22):5418-26.
3	Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases, Bioorg. Med. Chem. Lett. 20(13):3863-3867 (2010).
4	Selective inhibition of Pfmrk, a Plasmodium falciparum CDK, by antimalarial 1,3-diaryl-2-propenones. Bioorg Med Chem Lett. 2009 Apr 1;19(7):1982-5.
5	Novel molecular targets for antimalarial chemotherapy. Int J Antimicrob Agents. 2007 Jul;30(1):4-10.
6	Evaluation of broad spectrum protein kinase inhibitors to probe the architecture of the malarial cyclin dependent protein kinase Pfmrk. Bioorg Med Chem Lett. 2007 Sep 1;17(17):4961-6.