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: | CHEMBL2002105 | |
|---|---|---|
| Name: | 5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C6H5BrN4/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H3,8,9,10,11) |
Properties
pKi: LRRK2 inhibition as log(1/Ki)
| Value | Source or prediction |
|---|---|
| 5.5 |
experimental value |
| 5.310821 |
pls: PLS model of diverse drug-like compounds (Training set) |
| 6.403233 |
bmlr: MLR model of diverse drug-like compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID30431469 | US EPA CompTox Dashboard |