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:	CHEMBL1999484
	Name:	N,4-dimethyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7.3	experimental value
7.551989	pls: PLS model of diverse drug-like compounds (Training set)
6.405654	bmlr: MLR model of diverse drug-like compounds (Training set)