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:	CHEMBL1971519
	Name:	4-(4-fluorophenyl)-1H-indazol-3-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C13H10FN3/c14-9-6-4-8(5-7-9)10-2-1-3-11-12(10)13(15)17-16-11/h1-7H,(H3,15,16,17)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.9	experimental value
5.640618	pls: PLS model of diverse drug-like compounds (Training set)
5.747083	bmlr: MLR model of diverse drug-like compounds (Training set)