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:	CHEMBL1870106
	Name:	[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.2	experimental value
6.253348	pls: PLS model of diverse drug-like compounds (Training set)
6.703324	bmlr: MLR model of diverse drug-like compounds (Training set)