Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Z4QX
|
||||
| Former ID |
DNC007070
|
||||
| Drug Name |
2-methoxyestradiol 3,17-O,O-bis-sulfamate
|
||||
| Synonyms |
2-methoxyestradiol-3,17-O,O-bis-sulfamate
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [528582] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C19H28N2O7S2
|
||||
| Canonical SMILES |
CC12CCC3C(C1CCC2OS(=O)(=O)N)CCC4=CC(=C(C=C34)OC)OS(=O)(<br />=O)N
|
||||
| InChI |
1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1
|
||||
| InChIKey |
AQSNIXKAKUZPSI-SSTWWWIQSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Steryl-sulfatase | Target Info | Inhibitor | [528582] | |
| Carbonic anhydrase II | Target Info | Inhibitor | [529303] | ||
| NetPath Pathway | IL4 Signaling Pathway | ||||
| EGFR1 Signaling Pathway | |||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| References | |||||
| Ref 528582 | J 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 529303 | J Med Chem. 2008 Mar 13;51(5):1295-308. Epub 2008 Feb 9.Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.