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:	CHEMBL1991734
	Name:	10-methyl-9-phenyl-9H-acridine-2,7-diamine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C20H19N3/c1-23-18-9-7-14(21)11-16(18)20(13-5-3-2-4-6-13)17-12-15(22)8-10-19(17)23/h2-12,20H,21-22H2,1H3

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.6	experimental value
6.803416	pls: PLS model of diverse drug-like compounds (Training set)
5.919766	bmlr: MLR model of diverse drug-like compounds (Training set)