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:	CHEMBL1994159
	Name:	1-(3-imidazo[1,2-b]pyridazin-6-ylphenyl)ethanone
	Description:
	Labels:	Testing
	CAS:
	InChi Code:	InChI=1S/C14H11N3O/c1-10(18)11-3-2-4-12(9-11)13-5-6-14-15-7-8-17(14)16-13/h2-9H,1H3

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.2	experimental value
5.289252	pls: PLS model of diverse drug-like compounds (Validation set)
6.167307	bmlr: MLR model of diverse drug-like compounds (Validation set)