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:	CHEMBL1984296
	Name:	N-(2,5-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C22H18N2O2/c1-14-9-10-15(2)19(12-14)24-22(25)17-13-20(21-8-5-11-26-21)23-18-7-4-3-6-16(17)18/h3-13H,1-2H3,(H,24,25)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.8	experimental value
5.546067	pls: PLS model of diverse drug-like compounds (Training set)
6.284691	bmlr: MLR model of diverse drug-like compounds (Training set)