Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2023.
Compound
| ID: | e7021 | |
|---|---|---|
| Name: | cis-N-[1-[2-(2-Thienyl)ethyl]-3-methyl-4-piperidyl]-N-phenylpropanamide hydrochloride | |
| Description: | ||
| Labels: | ||
| CAS: | 131690-45-4 | |
| InChi Code: | InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3 |
Properties
er_ago: Activity in ER agonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Tab3.agonists: Model for ER activity on agonists pathway (Evaluation set) |