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:	CHEMBL1949855
	Name:	8-chloro-1H-quinazolin-4-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C8H5ClN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.8	experimental value
4.856791	pls: PLS model of diverse drug-like compounds (Training set)
4.540166	bmlr: MLR model of diverse drug-like compounds (Training set)