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:	CHEMBL1981133
	Name:	1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxypropan-2-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6	experimental value
6.466581	pls: PLS model of diverse drug-like compounds (Training set)
6.456882	bmlr: MLR model of diverse drug-like compounds (Training set)