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:	CHEMBL1982711
	Name:	4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C14H10ClN3O/c15-11-5-6-17-14-12(11)10(7-18-14)8-1-3-9(4-2-8)13(16)19/h1-7H,(H2,16,19)(H,17,18)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7	experimental value
6.261616	pls: PLS model of diverse drug-like compounds (Training set)
6.607647	bmlr: MLR model of diverse drug-like compounds (Training set)