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:	CHEMBL2001704
	Name:	[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C8H6N4S/c9-7-10-11-8-12(7)5-3-1-2-4-6(5)13-8/h1-4H,(H2,9,10)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.1	experimental value
4.825729	pls: PLS model of diverse drug-like compounds (Training set)
3.699275	bmlr: MLR model of diverse drug-like compounds (Training set)