Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 36167-63-2 | |
|---|---|---|
| Name: | Halofantrine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 36167-63-2 | |
| InChi Code: | InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.45182027 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |