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:	CHEMBL1967612
	Name:	5-chloro-1,1-dioxo-1,2-benzothiazol-3-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C7H4ClNO3S/c8-4-1-2-6-5(3-4)7(10)9-13(6,11)12/h1-3H,(H,9,10)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.3	experimental value
4.772777	pls: PLS model of diverse drug-like compounds (Training set)
4.349861	bmlr: MLR model of diverse drug-like compounds (Training set)