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: | CHEMBL1965838 | |
|---|---|---|
| Name: | 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine | |
| Description: | ||
| Labels: | Testing | |
| CAS: | ||
| InChi Code: | InChI=1S/C5H6N4S/c1-3-2-10-5-7-4(6)8-9(3)5/h2H,1H3,(H2,6,8) |
Properties
pKi: LRRK2 inhibition as log(1/Ki)
| Value | Source or prediction |
|---|---|
| 4.4 |
experimental value |
| 4.834787 |
pls: PLS model of diverse drug-like compounds (Validation set) |
| 3.8225 |
bmlr: MLR model of diverse drug-like compounds (Validation set) |