10967/161 - QDB Compounds

QsarDB Repository

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:CHEMBL1967252
Name:3-methyl-5-pyridin-3-yl-2H-indazole
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C13H11N3/c1-9-12-7-10(4-5-13(12)16-15-9)11-3-2-6-14-8-11/h2-8H,1H3,(H,15,16)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

ValueSource or prediction
6.4

experimental value

5.695244

pls: PLS model of diverse drug-like compounds (Training set)

5.877341

bmlr: MLR model of diverse drug-like compounds (Training set)