Drug Information

Drug General Information
Drug ID
D0X9LJ
Former ID
DNC009043
Drug Name
4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529884]
Structure
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2D MOL

3D MOL
Formula
C13H13FN2O4S2
Canonical SMILES
C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)N
InChI
1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)
InChIKey
RXAAVLURIXEENO-UHFFFAOYSA-N
PubChem Compound ID
788811
Target and Pathway
Target(s) Carbonic anhydrase II Target Info Inhibitor [529884]
Carbonic anhydrase IX Target Info Inhibitor [529884]
Carbonic anhydrase I Target Info Inhibitor [529884]
KEGG Pathway Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretionhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolism
NetPath Pathway IL4 Signaling Pathway
EGFR1 Signaling Pathway
Pathway Interaction Database HIF-1-alpha transcription factor networkcmyb_pathway: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-1234158:Regulation of gene expression by Hypoxia-inducible Factor
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 ErythrocytesWP2877:Vitamin D Receptor Pathway
Regulation of Hypoxia-inducible Factor (HIF) by OxygenWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes
References
Ref 529884Bioorg Med Chem. 2009 Jan 15;17(2):553-7. Epub 2008 Dec 6.Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors.
Ref 529884Bioorg Med Chem. 2009 Jan 15;17(2):553-7. Epub 2008 Dec 6.Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors.

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