Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0C6ED
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| Former ID |
DNC009045
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| Drug Name |
1,4-phenylene disulfamate
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| Synonyms |
1,4-phenylene disulfamate; CHEMBL461964
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C6H8N2O6S2
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| Canonical SMILES |
C1=CC(=CC=C1OS(=O)(=O)N)OS(=O)(=O)N
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| 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)
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| InChIKey |
BPEJBYDTMVTZIA-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Carbonic anhydrase II (CA-II) | Target Info | Inhibitor | [1] |
| Carbonic anhydrase IX (CA-IX) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | 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 dioxide | ||||
| Erythrocytes take up carbon dioxide and release oxygen | ||||
| Erythrocytes take up oxygen and release carbon dioxide | ||||
| WikiPathways | Vitamin D Receptor Pathway | |||
| Reversible Hydration of Carbon Dioxide | ||||
| Regulation of Hypoxia-inducible Factor (HIF) by Oxygen | ||||
| Uptake of Carbon Dioxide and Release of Oxygen by Erythrocytes | ||||
| Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors. Bioorg Med Chem. 2009 Jan 15;17(2):553-7. | |||
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