10967/259 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2023.

Compound

ID:e5984
Name:2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, phosphate
Description:
Labels:
CAS:52628-03-2
InChi Code:InChI=1S/C6H11O6P/c1-5(2)6(7)11-3-4-12-13(8,9)10/h1,3-4H2,2H3,(H2,8,9,10)

Properties

er_ant: Activity in ER antagonist pathway

ValueSource or prediction
inactive

experimental value

inactive

Tab3.antagonists: Model for ER activity on antagonists pathway (Evaluation set)