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:	CHEMBL522892
	Name:	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.5	experimental value
6.724748	pls: PLS model of diverse drug-like compounds (Training set)
6.803935	bmlr: MLR model of diverse drug-like compounds (Training set)