Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e871 | |
|---|---|---|
| Name: | Zatebradine hydrochloride | |
| Description: | ||
| Labels: | ||
| CAS: | 91940-87-3 | |
| InChi Code: | InChI=1S/C26H36N2O5.ClH/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29;/h7-8,15-17H,6,9-14,18H2,1-5H3;1H |
Properties
Agonists: Activity in AR agonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| agonist |
Agonists_model: Agonist model (Evaluation set) |
Antagonists: Activity in AR antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
Antagonists_model: Antagonist model (Evaluation set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| binder |
Binders_model: Binding model (Evaluation set) |
MultiClass: Activity in AR agonist and antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| antagonist |
MultiClass_model: Multi-Class model (Evaluation set) |