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:	CHEMBL1421720
	Name:	N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C13H10N2OS2/c16-12(8-9-4-3-7-17-9)15-13-14-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H,14,15,16)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.1	experimental value
5.873369	pls: PLS model of diverse drug-like compounds (Training set)
6.084379	bmlr: MLR model of diverse drug-like compounds (Training set)