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:	CHEMBL1992125
	Name:	4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C22H25N5O3/c1-14-7-8-17-15(10-14)6-5-9-27(17)22-24-13-23-21(26-22)25-16-11-18(28-2)20(30-4)19(12-16)29-3/h7-8,10-13H,5-6,9H2,1-4H3,(H,23,24,25,26)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.6	experimental value
5.42704	pls: PLS model of diverse drug-like compounds (Training set)
6.749165	bmlr: MLR model of diverse drug-like compounds (Training set)