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:	CHEMBL1988622
	Name:	6-(2-phenylethenyl)imidazo[1,2-b]pyridazine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C14H11N3/c1-2-4-12(5-3-1)6-7-13-8-9-14-15-10-11-17(14)16-13/h1-11H

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.4	experimental value
5.577485	pls: PLS model of diverse drug-like compounds (Training set)
6.414445	bmlr: MLR model of diverse drug-like compounds (Training set)