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:	CHEMBL1997119
	Name:	5-phenylimidazo[1,5-a]pyridin-3-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C13H11N3/c14-13-15-9-11-7-4-8-12(16(11)13)10-5-2-1-3-6-10/h1-9H,(H2,14,15)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.5	experimental value
5.367033	pls: PLS model of diverse drug-like compounds (Training set)
5.27208	bmlr: MLR model of diverse drug-like compounds (Training set)