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:	CHEMBL1973359
	Name:	2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
	Description:
	Labels:	Testing
	CAS:
	InChi Code:	InChI=1S/C12H8N4O4/c13-12(17)7-1-3-10-14-8(6-15(10)5-7)9-2-4-11(20-9)16(18)19/h1-6H,(H2,13,17)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.9	experimental value
6.134839	pls: PLS model of diverse drug-like compounds (Validation set)
6.658229	bmlr: MLR model of diverse drug-like compounds (Validation set)