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:	CHEMBL1971289
	Name:	2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C12H12N2O3S/c1-2-17-8-4-3-7(9(15)6-8)5-10-11(16)14-12(13)18-10/h3-6,15H,2H2,1H3,(H2,13,14,16)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.3	experimental value
6.04537	pls: PLS model of diverse drug-like compounds (Training set)
5.685037	bmlr: MLR model of diverse drug-like compounds (Training set)