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:	CHEMBL117697
	Name:	N-(3-methoxyphenyl)quinazolin-4-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.1	experimental value
5.217848	pls: PLS model of diverse drug-like compounds (Training set)
6.017677	bmlr: MLR model of diverse drug-like compounds (Training set)