Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e4374 | |
|---|---|---|
| Name: | N2-(4-Nitrophenyl)-L-glutamine hydrochloride | |
| Description: | ||
| Labels: | ||
| CAS: | 67953-08-6 | |
| InChi Code: | InChI=1S/C11H13N3O5.ClH/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9,13H,5-6H2,(H2,12,15)(H,16,17);1H/t9-;/m0./s1 |
Properties
Agonists: Activity in AR agonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Agonists_model: Agonist model (Evaluation set) |
Antagonists: Activity in AR antagonist pathway
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
Antagonists_model: Antagonist model (Evaluation set) |
Binders: Activity in androgen receptor
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| inactive |
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) |