Details of the Drug

General Information of Drug (ID: DMYESXB)

Drug Name

4-[2-(2-Thienyl)acetamido]benzenesulfonamide

Synonyms

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide; N-(4-Sulfamoyl-phenyl)-2-thiophen-2-yl-acetamide; 4-[2-(2-Thienyl)acetamido]benzenesulfonamide; sulfonamide deriv., 5a; AC1LDN6X; Cambridge id 6617099; Oprea1_255870; Oprea1_090963; MLS001212957; CHEMBL573127; ZINC30817; BDBM35726; MolPort-000-681-412; 3r16; HMS1588L03; HMS2848H14; CCG-19182; STK001094; AKOS000646514; MCULE-6253669570; 349432-97-9; SMR000518066; BAS 03030369; ST043878; N-(4-sulfamoylphenyl)-2-(2-thienyl)acetamide; N-(4-sulfamoylphenyl)-2-thiophen-2-ylacetamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

296.4

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C12H12N2O3S2
IUPAC Name: N-(4-sulfamoylphenyl)-2-thiophen-2-ylacetamide
Canonical SMILES: C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI: InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
InChIKey: ZQWXOBLMDBJRLY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 670143
TTD ID: D0W9VC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Carbonic anhydrase inhibitors. Aromatic/heterocyclic sulfonamides incorporating phenacetyl, pyridylacetyl and thienylacetyl tails act as potent inh... Bioorg Med Chem. 2009 Jul 15;17(14):4894-9.