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:	CHEMBL2000879
	Name:	5-phenyl-4,5,6,7-tetrahydro-1H-indazole
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C13H14N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-5,9,11H,6-8H2,(H,14,15)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.1	experimental value
5.12981	pls: PLS model of diverse drug-like compounds (Training set)
5.314644	bmlr: MLR model of diverse drug-like compounds (Training set)