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
CAS Number
2736-23-4
TTD ID
D0S6CO

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.