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]
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
ChEBI ID
CHEMBL573127
TTD ID
D0W9VC
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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 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) Jump to Detail Molecular Expression Atlas of This Drug

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.