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:	CHEMBL2002182
	Name:	8-phenyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C12H9N3O/c16-12-14-13-11-10(7-4-8-15(11)12)9-5-2-1-3-6-9/h1-8H,(H,14,16)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.4	experimental value
5.032558	pls: PLS model of diverse drug-like compounds (Training set)
5.716951	bmlr: MLR model of diverse drug-like compounds (Training set)