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: | CHEMBL451401 | |
|---|---|---|
| Name: | 1H-indazole-7-carboxamide | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C8H7N3O/c9-8(12)6-3-1-2-5-4-10-11-7(5)6/h1-4H,(H2,9,12)(H,10,11) |
Properties
pKi: LRRK2 inhibition as log(1/Ki)
| Value | Source or prediction |
|---|---|
| 4.8 |
experimental value |
| 4.964554 |
pls: PLS model of diverse drug-like compounds (Training set) |
| 4.795112 |
bmlr: MLR model of diverse drug-like compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID30659580 | US EPA CompTox Dashboard |