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:	CHEMBL1973013
	Name:	5-bromo-4-N-(5-methyl-1,3-thiazol-2-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C11H14BrN5S/c1-6(2)15-10-13-5-8(12)9(16-10)17-11-14-4-7(3)18-11/h4-6H,1-3H3,(H2,13,14,15,16,17)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.3	experimental value
6.247516	pls: PLS model of diverse drug-like compounds (Training set)
6.391152	bmlr: MLR model of diverse drug-like compounds (Training set)