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:	CHEMBL2000029
	Name:	5-[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-1H-indazol-3-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C23H20N6/c1-15-7-5-6-10-18(15)22-21(17-11-12-20-19(13-17)23(24)27-25-20)26-28-29(22)14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H3,24,25,27)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7.4	experimental value
7.374693	pls: PLS model of diverse drug-like compounds (Training set)
6.05822	bmlr: MLR model of diverse drug-like compounds (Training set)