Details of the Drug

General Information of Drug (ID: DM4EY5S)

Drug Name
2,4-dichloro-5-sulfamoylbenzoic acid
Synonyms
2,4-Dichloro-5-sulfamoylbenzoic acid; 2736-23-4; Lasamide; 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid; 2,4-Dichloro-5-sulfamoyl-benzoic acid; 2,4-Dichloro-5-sulphamoylbenzoic acid; UNII-LEG53TF0SN; 2,4-Dichloro-5-sulfamylbenzoic acid; Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-; EINECS 220-358-3; LEG53TF0SN; 3-Sulfamoyl-4,6-dichlorobenzoic acid; BENZOIC ACID, 2,4-DICHLORO-5-SULFAMOYL-; BRN 2219046; 5-Carboxy-2,4-dichlorobenzenesulfonamide; 5-Aminosulfonyl-2,4-dichlorobenzoic acid; M 12325
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) 270.09
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C7H5Cl2NO4S
IUPAC Name
2,4-dichloro-5-sulfamoylbenzoic acid
Canonical SMILES
C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O
InChI
InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKey
ZSHHRBYVHTVRFK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
17655
ChEBI ID
CHEMBL120886
CAS Number
2736-23-4
TTD ID
D0S6CO
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
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 Synthesis, characterization and antiglaucoma activity of a novel proton transfer compound and a mixed-ligand Zn(II) complex. Bioorg Med Chem. 2010 Jan 15;18(2):930-8.