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:	CHEMBL1988581
	Name:	8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C12H15N3O2/c1-8-6-10(16)15-5-4-9(7-14(2)3)11(17)12(15)13-8/h4-6,17H,7H2,1-3H3

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7	experimental value
5.716831	pls: PLS model of diverse drug-like compounds (Training set)
6.079401	bmlr: MLR model of diverse drug-like compounds (Training set)