Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.
Compound
| ID: | e2063 | |
|---|---|---|
| Name: | Ubistatin A | |
| Description: | ||
| Labels: | ||
| CAS: | 759437-26-8 | |
| InChi Code: | InChI=1S/C34H24N4O16S4/c39-31-23(15-27(57(49,50)51)21-3-1-11-35-29(21)31)33(41)37-19-9-7-17(25(13-19)55(43,44)45)5-6-18-8-10-20(14-26(18)56(46,47)48)38-34(42)24-16-28(58(52,53)54)22-4-2-12-36-30(22)32(24)40/h1-16,39-40H,(H,37,41)(H,38,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b6-5+ |
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 |
| 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 |
| agonist |
MultiClass_model: Multi-Class model (Evaluation set) |