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:	CHEMBL1985206
	Name:	5-(3-methoxyprop-1-ynyl)-3-thiophen-2-yl-2,4-dihydroindeno[1,2-c]pyrazole
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C18H14N2OS/c1-21-9-3-6-12-5-2-7-13-14(12)11-15-17(13)19-20-18(15)16-8-4-10-22-16/h2,4-5,7-8,10H,9,11H2,1H3,(H,19,20)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6	experimental value
5.818026	pls: PLS model of diverse drug-like compounds (Training set)
6.479319	bmlr: MLR model of diverse drug-like compounds (Training set)