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:	CHEMBL1994526
	Name:	4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.1	experimental value
6.070223	pls: PLS model of diverse drug-like compounds (Training set)
5.767771	bmlr: MLR model of diverse drug-like compounds (Training set)