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:	CHEMBL1971534
	Name:	thieno[2,3-c]pyridine-2-carboxamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C8H6N2OS/c9-8(11)6-3-5-1-2-10-4-7(5)12-6/h1-4H,(H2,9,11)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5	experimental value
5.222429	pls: PLS model of diverse drug-like compounds (Training set)
4.978721	bmlr: MLR model of diverse drug-like compounds (Training set)