Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0N8VZ
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| Former ID |
DNC007069
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| Drug Name |
2-ethylestradiol 3,17-O,O-bis-sulfamate
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| Synonyms |
2-ethylestradiol-3,17-O,O-bis-sulfamate; CHEMBL425287; (9beta,13alpha,14beta,17alpha)-2-Ethylestra-1(10),2,4-Triene-3,17-Diyl Disulfamate; 2-ethyloestradiol-bis-sulfamate; 3oik; WZB; 2x7t; 2-EbM; SCHEMBL3690812; BDBM50200941; LS-193106; 2-Ethyl-3,17beta-bis(sulfamoyloxy)estra-1,3,5(10)-triene; Estra-1,3,5(10)-triene-3,17-diol, 2-ethyl-, disulfamate, (17beta)-
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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 |
C20H30N2O6S2
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| Canonical SMILES |
CCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4OS(=O)(=O)N)C)OS(=O)(=O)N
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| InChI |
1S/C20H30N2O6S2/c1-3-12-10-16-13(11-18(12)27-29(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)28-30(22,25)26/h10-11,14-15,17,19H,3-9H2,1-2H3,(H2,21,23,24)(H2,22,25,26)/t14-,15+,17-,19-,20-/m0/s1
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| InChIKey |
LDOGEZTUWBORPG-SSGANFLRSA-N
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| CAS Number |
CAS 556813-12-8
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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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