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:	CHEMBL482538
	Name:	4-phenyl-1H-pyrrolo[2,3-b]pyridine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-8-14-13-12(11)7-9-15-13/h1-9H,(H,14,15)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6	experimental value
5.706431	pls: PLS model of diverse drug-like compounds (Training set)
5.616299	bmlr: MLR model of diverse drug-like compounds (Training set)