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: | CHEMBL1966799 | |
|---|---|---|
| Name: | 5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-amine | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C6H5ClN4/c7-4-2-1-3-5-9-10-6(8)11(4)5/h1-3H,(H2,8,10) |
Properties
pKi: LRRK2 inhibition as log(1/Ki)
| Value | Source or prediction |
|---|---|
| 4 |
experimental value |
| 4.636666 |
pls: PLS model of diverse drug-like compounds (Training set) |
| 4.668417 |
bmlr: MLR model of diverse drug-like compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID30314925 | US EPA CompTox Dashboard |