Drug Information

Drug General Information
Drug ID
D01JTI
Former ID
DNC005933
Drug Name
3-bromophenyl-difluoromethanesulfonamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527782]
Structure
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2D MOL

3D MOL
Formula
C7H6BrF2NO2S
Canonical SMILES
C1=CC(=CC(=C1)Br)C(F)(F)S(=O)(=O)N
InChI
1S/C7H6BrF2NO2S/c8-6-3-1-2-5(4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKey
RXNVOIIGCVXUGN-UHFFFAOYSA-N
PubChem Compound ID
11687831
Target and Pathway
Target(s) Carbonic anhydrase IX Target Info Inhibitor [527782]
Carbonic anhydrase II Target Info Inhibitor [527782]
Carbonic anhydrase Target Info Inhibitor [527782]
Carbonic anhydrase I Target Info Inhibitor [527782]
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 HIF-1-alpha transcription factor networkcmyb_pathway:C-MYB transcription factor network
PathWhiz Pathway Gastric Acid Production
Reactome Regulation of gene expression by Hypoxia-inducible Factor
Reversible hydration of carbon dioxideR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxide
WikiPathways Vitamin D Receptor Pathway
Reversible Hydration of Carbon Dioxide
Regulation of Hypoxia-inducible Factor (HIF) by OxygenWP2770: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 527782Bioorg Med Chem Lett. 2005 Dec 1;15(23):5192-6. Epub 2005 Oct 3.Carbonic anhydrase inhibitors: inhibition of the human isozymes I, II, VA, and IX with a library of substituted difluoromethanesulfonamides.
Ref 527782Bioorg Med Chem Lett. 2005 Dec 1;15(23):5192-6. Epub 2005 Oct 3.Carbonic anhydrase inhibitors: inhibition of the human isozymes I, II, VA, and IX with a library of substituted difluoromethanesulfonamides.

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