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:	CHEMBL1992673
	Name:	9-chloro-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C9H5ClN4O/c10-5-1-2-7-6(3-5)8-11-4-12-14(8)9(15)13-7/h1-4H,(H,11,12)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.4	experimental value
4.603781	pls: PLS model of diverse drug-like compounds (Training set)
4.696003	bmlr: MLR model of diverse drug-like compounds (Training set)