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:	CHEMBL1964718
	Name:	7-methyl-2,4-dihydropyrido[2,1-c][1,2,4]triazin-3-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C8H9N3O/c1-6-2-3-7-9-10-8(12)5-11(7)4-6/h2-4H,5H2,1H3,(H,10,12)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.5	experimental value
4.668622	pls: PLS model of diverse drug-like compounds (Training set)
4.593351	bmlr: MLR model of diverse drug-like compounds (Training set)