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)

Value	Source 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)