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:	CHEMBL1974617
	Name:	[5-(1H-indazol-5-yl)-1,2-oxazol-3-yl]methanol
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C11H9N3O2/c15-6-9-4-11(16-14-9)7-1-2-10-8(3-7)5-12-13-10/h1-5,15H,6H2,(H,12,13)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.4	experimental value
5.3959	pls: PLS model of diverse drug-like compounds (Training set)
6.34463	bmlr: MLR model of diverse drug-like compounds (Training set)