Drug Information

Drug General Information
Drug ID
D0DY9U
Former ID
DNC006830
Drug Name
3-mercapto-N-(4-sulfamoyl-phenyl)-propionamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528406]
Formula
C9H12N2O3S2
Canonical SMILES
C1=CC(=CC=C1NC(=O)CCS)S(=O)(=O)N
InChI
1S/C9H12N2O3S2/c10-16(13,14)8-3-1-7(2-4-8)11-9(12)5-6-15/h1-4,15H,5-6H2,(H,11,12)(H2,10,13,14)
InChIKey
QGPJKQACZFKJBW-UHFFFAOYSA-N
PubChem Compound ID
23645365
Target and Pathway
Target(s) Carbonic anhydrase I Target Info Inhibitor [528406]
Carbonic anhydrase II Target Info Inhibitor [528406]
Carbonic anhydrase IX Target Info Inhibitor [528406]
KEGG Pathway Nitrogen metabolismhsa00910: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 networkhif1_tfpathway:HIF-1-alpha 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 dioxideR-HSA-1234158:Regulation of gene expression by Hypoxia-inducible Factor
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 ErythrocytesWP2877:Vitamin D Receptor Pathway
Regulation of Hypoxia-inducible Factor (HIF) by Oxygen
References
Ref 528406J Med Chem. 2006 Sep 7;49(18):5544-51.Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX.
Ref 528406J Med Chem. 2006 Sep 7;49(18):5544-51.Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX.

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