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:	CHEMBL1975921
	Name:	6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C6H4BrN3O/c7-3-1-4-5(8-2-3)10-6(11)9-4/h1-2H,(H2,8,9,10,11)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.4	experimental value
5.200284	pls: PLS model of diverse drug-like compounds (Training set)
5.459773	bmlr: MLR model of diverse drug-like compounds (Training set)