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:	CHEMBL1989471
	Name:	4-methyl-8-propan-2-yl-10H-benzo[b][1,8]naphthyridin-5-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C16H16N2O/c1-9(2)11-4-5-12-13(8-11)18-16-14(15(12)19)10(3)6-7-17-16/h4-9H,1-3H3,(H,17,18,19)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6	experimental value
5.420991	pls: PLS model of diverse drug-like compounds (Training set)
6.266894	bmlr: MLR model of diverse drug-like compounds (Training set)