Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e1709 | |
|---|---|---|
| Name: | Mefeserpine | |
| Description: | ||
| Labels: | ||
| CAS: | 3735-85-1 | |
| InChi Code: | InChI=1S/C32H38N2O8/c1-37-19-5-7-20(8-6-19)41-17-28(35)42-27-13-18-16-34-12-11-23-22-10-9-21(38-2)14-25(22)33-30(23)26(34)15-24(18)29(31(27)39-3)32(36)40-4/h5-10,14,18,24,26-27,29,31,33H,11-13,15-17H2,1-4H3/t18-,24+,26-,27-,29+,31+/m1/s1 |
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) |