Drug Information

Drug General Information
Drug ID
D09CSP
Former ID
DNC009156
Drug Name
3-(4-sulfamoylphenyl)propanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530146]
Structure
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2D MOL

3D MOL
Formula
C9H11NO4S
Canonical SMILES
C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)N
InChI
1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
InChIKey
JUEONDBIBADVGD-UHFFFAOYSA-N
PubChem Compound ID
3161908
Target and Pathway
Target(s) Carbonic anhydrase II Target Info Inhibitor [530466]
Carbonic anhydrase Target Info Inhibitor [530146]
Carbonic anhydrase I Target Info Inhibitor [537461]
KEGG Pathway Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretionhsa00910:Nitrogen metabolism
NetPath Pathway IL4 Signaling Pathway
EGFR1 Signaling Pathway
Pathway Interaction Database C-MYB transcription factor network
PathWhiz Pathway Gastric Acid Production
Reactome Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxideR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Reversible hydration of carbon dioxide
WikiPathways Reversible Hydration of Carbon Dioxide
Uptake of Carbon Dioxide and Release of Oxygen by Erythrocytes
Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes
References
Ref 530146Bioorg Med Chem. 2009 Jul 1;17(13):4503-9. Epub 2009 May 8.Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides.
Ref 530146Bioorg Med Chem. 2009 Jul 1;17(13):4503-9. Epub 2009 May 8.Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides.
Ref 530466Bioorg Med Chem Lett. 2009 Dec 1;19(23):6649-54. Epub 2009 Oct 7.Carbonic anhydrase inhibitors. Characterization and inhibition studies of the most active beta-carbonic anhydrase from Mycobacterium tuberculosis, Rv3588c.
Ref 537461Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15;17(14):5054-8. Epub 2009 May 30.

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