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:	CHEMBL1982753
	Name:	6-[(2-aminocyclohexyl)amino]-2-(3-chloroanilino)pyridine-3-carboxamide
	Description:
	Labels:	Testing
	CAS:
	InChi Code:	InChI=1S/C18H22ClN5O/c19-11-4-3-5-12(10-11)22-18-13(17(21)25)8-9-16(24-18)23-15-7-2-1-6-14(15)20/h3-5,8-10,14-15H,1-2,6-7,20H2,(H2,21,25)(H2,22,23,24)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7	experimental value
6.940267	pls: PLS model of diverse drug-like compounds (Validation set)
6.54109	bmlr: MLR model of diverse drug-like compounds (Validation set)