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: | CHEMBL1972934 | |
|---|---|---|
| Name: | thieno[2,3-d]pyrimidin-4-amine | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C6H5N3S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9) |
Properties
pKi: LRRK2 inhibition as log(1/Ki)
| Value | Source or prediction |
|---|---|
| 4.9 |
experimental value |
| 5.042241 |
pls: PLS model of diverse drug-like compounds (Training set) |
| 4.305409 |
bmlr: MLR model of diverse drug-like compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID80401415 | US EPA CompTox Dashboard |