Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e2113 | |
|---|---|---|
| Name: | (2beta,3alpha,5alpha,16beta,17beta)-3-Acetoxy-2,16-di(1-piperidinyl)androstan-17-yl propionate | |
| Description: | ||
| Labels: | ||
| CAS: | 13522-19-5 | |
| InChi Code: | InChI=1S/C34H56N2O4/c1-5-31(38)40-32-28(35-16-8-6-9-17-35)21-27-25-13-12-24-20-30(39-23(2)37)29(36-18-10-7-11-19-36)22-34(24,4)26(25)14-15-33(27,32)3/h24-30,32H,5-22H2,1-4H3/t24-,25+,26-,27-,28-,29-,30-,32-,33-,34-/m0/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 |
| agonist |
MultiClass_model: Multi-Class model (Evaluation set) |