Details of the Drug

General Information of Drug (ID: DMFYR6H)

Drug Name
4-(2-Phenylacetamido)benzenesulfonamide
Synonyms
2-phenyl-N-(4-sulfamoylphenyl)acetamide; N-[4-(aminosulfonyl)phenyl]-2-phenylacetamide; 331274-56-7; 3oys; 4-(2-Phenylacetamido)benzenesulfonamide; sulfonamide deriv., 7a; AC1LE45L; Oprea1_842052; CHEMBL574782; ARONIS000876; SCHEMBL13276539; KS-00003UGZ; BDBM35733; MolPort-001-503-086; ZINC142256; STK097687; AKOS000490206; MCULE-4432635286; ST039768; AN-329/10027012; F3145-0673
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) 290.34
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H14N2O3S
IUPAC Name
2-phenyl-N-(4-sulfamoylphenyl)acetamide
Canonical SMILES
C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
InChIKey
JWDLYKTZCRIGNW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
729977
ChEBI ID
CHEMBL574782
TTD ID
D0O0UE
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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.