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:	CHEMBL235157
	Name:	2,3-dimethoxy-9-methylquinolino[3,4-c]quinoline-7,10-diamine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7.2	experimental value
7.152507	pls: PLS model of diverse drug-like compounds (Training set)
6.95192	bmlr: MLR model of diverse drug-like compounds (Training set)