Drug General Information
Drug ID	D0C6ED
Former ID	DNC009045
Drug Name	1,4-phenylene disulfamate
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529884]
Structure		Download 2D MOL 3D MOL
Formula	C6H8N2O6S2
Canonical SMILES	C1=CC(=CC=C1OS(=O)(=O)N)OS(=O)(=O)N
InChI	1S/C6H8N2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
InChIKey	BPEJBYDTMVTZIA-UHFFFAOYSA-N
PubChem Compound ID	44564283
Target and Pathway
Target(s)	Carbonic anhydrase IX	Target Info	Inhibitor	[529884]
	Carbonic anhydrase II	Target Info	Inhibitor	[529884]
KEGG Pathway	Nitrogen metabolismhsa00910:Nitrogen metabolism
	Proximal tubule bicarbonate reclamation
	Collecting duct acid secretion
	Gastric acid secretion
	Pancreatic secretion
	Bile secretion
NetPath Pathway	IL4 Signaling Pathway
	EGFR1 Signaling Pathway
Pathway Interaction Database	HIF-1-alpha transcription factor network
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 Erythrocytes
References
Ref 529884	Bioorg 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 529884	Bioorg 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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