Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0S3RZ
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| Former ID |
DNC007071
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| Drug Name |
Estradiol 3,17-O,O-bis-sulfamate
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| Synonyms |
CHEMBL221802; estradiol 3,17-O,O-bis-sulfamate; SCHEMBL5167329; ZINC3825541; BDBM50159804; Sulfamic acid (8R,9S,13S,14S,17S)-13-methyl-3-sulfamoyloxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl ester
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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 |
C18H26N2O6S2
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| Canonical SMILES |
CC12CCC3C(C1CCC2OS(=O)(=O)N)CCC4=C3C=CC(=C4)OS(=O)(=O)N
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| InChI |
1S/C18H26N2O6S2/c1-18-9-8-14-13-5-3-12(25-27(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(20,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H2,19,21,22)(H2,20,23,24)/t14-,15-,16+,17+,18+/m1/s1
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| InChIKey |
ZVSCPWTWOPVEDW-ZBRFXRBCSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Steryl-sulfatase (STS) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Reactome | Glycosphingolipid metabolism | |||
| WikiPathways | Estrogen metabolism | |||
| Vitamin D Receptor Pathway | ||||
| Sphingolipid metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity. J Med Chem. 2006 Dec 28;49(26):7683-96. | |||
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