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:	CHEMBL289959
	Name:	N-phenylquinazolin-4-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C14H11N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h1-10H,(H,15,16,17)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.7	experimental value
5.284487	pls: PLS model of diverse drug-like compounds (Training set)
5.329034	bmlr: MLR model of diverse drug-like compounds (Training set)

Links to External Resources

Link	Resource description
DTXSID20314737	US EPA CompTox Dashboard