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:	CHEMBL1984500
	Name:	4-bromo-2,3-dihydroisoindol-1-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C8H6BrNO/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4H2,(H,10,11)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.5	experimental value
5.296139	pls: PLS model of diverse drug-like compounds (Training set)
4.386439	bmlr: MLR model of diverse drug-like compounds (Training set)