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
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 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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.