Drug Information

Drug General Information
Drug ID
D0N8VZ
Former ID
DNC007069
Drug Name
2-ethylestradiol 3,17-O,O-bis-sulfamate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528582]
Structure
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2D MOL

3D MOL
Formula
C20H30N2O6S2
Canonical SMILES
CCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4OS(=O)(=O)N)C)OS(=O)(<br />=O)N
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
InChIKey
LDOGEZTUWBORPG-SSGANFLRSA-N
PubChem Compound ID
11583423
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [528582]
KEGG Pathway Steroid hormone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Glycosphingolipid metabolism
WikiPathways Estrogen metabolism
Vitamin D Receptor Pathway
Sphingolipid metabolism
References
Ref 528582J Med Chem. 2006 Dec 28;49(26):7683-96.2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
Ref 528582J Med Chem. 2006 Dec 28;49(26):7683-96.2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.

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