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:	CHEMBL1981492
	Name:	methyl 2-aminoimidazo[1,2-a]pyridine-3-carboxylate
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C9H9N3O2/c1-14-9(13)7-8(10)11-6-4-2-3-5-12(6)7/h2-5H,10H2,1H3

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.6	experimental value
4.986675	pls: PLS model of diverse drug-like compounds (Training set)
5.412413	bmlr: MLR model of diverse drug-like compounds (Training set)