Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04GDW
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| Former ID |
DNC007073
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| Drug Name |
2-methoxyestradiol-17-O-sulfamate
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| Synonyms |
CHEMBL374721; 2-methoxyestradiol 17-O-sulfamate; (13alpha,14beta,17alpha)-3-Hydroxy-2-Methoxyestra-1,3,5(10)-Trien-17-Yl Sulfamate; 2-methoxyestradiol-17-O-sulfamate; 2x7s; BDBM50200940
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C19H27NO5S
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| Canonical SMILES |
CC12CCC3C(C1CCC2OS(=O)(=O)N)CCC4=CC(=C(C=C34)OC)O
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| InChI |
1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1
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| InChIKey |
AOEHUXLJSHGXHN-SSTWWWIQSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Carbonic anhydrase II (CA-II) | 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 | ||||
| Reactome | Erythrocytes take up carbon dioxide and release oxygen | |||
| Erythrocytes take up oxygen and release carbon dioxide | ||||
| 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 Erythrocytes | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents. J Med Chem. 2008 Mar 13;51(5):1295-308. | |||
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