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:	CHEMBL1972346
	Name:	4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.3	experimental value
5.945921	pls: PLS model of diverse drug-like compounds (Training set)
6.722837	bmlr: MLR model of diverse drug-like compounds (Training set)