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:	CHEMBL1178727
	Name:	4H-indeno[1,2-d][1,3]thiazol-2-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C10H8N2S/c11-10-12-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4H,5H2,(H2,11,12)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.5	experimental value
5.158919	pls: PLS model of diverse drug-like compounds (Training set)
4.714517	bmlr: MLR model of diverse drug-like compounds (Training set)