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:	CHEMBL1991867
	Name:	5-chloro-2H-pyrazolo[3,4-d][1,3]thiazol-3-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C4H3ClN4S/c5-4-7-3-1(10-4)2(6)8-9-3/h(H3,6,8,9)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.8	experimental value
4.811618	pls: PLS model of diverse drug-like compounds (Training set)
4.010569	bmlr: MLR model of diverse drug-like compounds (Training set)