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:	CHEMBL1973868
	Name:	6-pyridin-4-ylquinolin-3-ol
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C14H10N2O/c17-13-8-12-7-11(1-2-14(12)16-9-13)10-3-5-15-6-4-10/h1-9,17H

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6	experimental value
5.686879	pls: PLS model of diverse drug-like compounds (Training set)
5.890711	bmlr: MLR model of diverse drug-like compounds (Training set)