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:	CHEMBL1989423
	Name:	1,4-dihydroindeno[1,2-c]pyrazole
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C10H8N2/c1-2-4-9-7(3-1)5-8-6-11-12-10(8)9/h1-4,6H,5H2,(H,11,12)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5	experimental value
5.068391	pls: PLS model of diverse drug-like compounds (Training set)
4.140234	bmlr: MLR model of diverse drug-like compounds (Training set)