Kahn, I.; Lomaka, A.; Karelson, M. Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 Inhibition. Mol. Inf. 2014, 33, 269-275.
Compound
| ID: | CHEMBL1973868 | |
|---|---|---|
| Name: | 6-pyridin-4-ylquinolin-3-ol | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C14H10N2O/c17-13-8-12-7-11(1-2-14(12)16-9-13)10-3-5-15-6-4-10/h1-9,17H |
Properties
pKi: LRRK2 inhibition as log(1/Ki)
| Value | Source or prediction |
|---|---|
| 6 |
experimental value |
| 5.686879 |
pls: PLS model of diverse drug-like compounds (Training set) |
| 5.890711 |
bmlr: MLR model of diverse drug-like compounds (Training set) |