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:	CHEMBL1974328
	Name:	5-[(2-aminocyclohexyl)amino]-3-(3-methylanilino)pyrazine-2-carboxamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-18-16(17(20)25)21-10-15(24-18)23-14-8-3-2-7-13(14)19/h4-6,9-10,13-14H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,22,23,24)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7.9	experimental value
7.954477	pls: PLS model of diverse drug-like compounds (Training set)
6.659918	bmlr: MLR model of diverse drug-like compounds (Training set)