Details of the Drug

General Information of Drug (ID: DM9GOTA)

Drug Name
4-(2-Phenylacetamido)-3-chlorobenzenesulfonamide
Synonyms
BRN 2157920; N-(4-(Aminosulfonyl)-2-chlorophenyl)benzeneacetamide; 3-Chloro-4-phenacetamido-benzenesulfonamide; Benzeneacetamide, N-(4-(aminosulfonyl)-2-chlorophenyl)-; 68252-75-5; AC1MHICQ; sulfonamide deriv., 7e; SCHEMBL8222515; CHEMBL583971; CTK5C7613; BDBM35737; DTXSID70218418; LS-28479; 3-Chloro-4-(phenylacetylamino)benzenesulfonamide
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) 324.8
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H13ClN2O3S
IUPAC Name
N-(2-chloro-4-sulfamoylphenyl)-2-phenylacetamide
Canonical SMILES
C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)Cl
InChI
InChI=1S/C14H13ClN2O3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H2,16,19,20)
InChIKey
PCTUCNXXOLZRTM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3051968
ChEBI ID
CHEMBL583971
CAS Number
68252-75-5
TTD ID
D0A3JR
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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
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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.