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:	CHEMBL1978195
	Name:	4-(4-bromophenyl)thieno[2,3-c]pyridine-2-carboxamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C14H9BrN2OS/c15-9-3-1-8(2-4-9)11-6-17-7-13-10(11)5-12(19-13)14(16)18/h1-7H,(H2,16,18)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.7	experimental value
6.260784	pls: PLS model of diverse drug-like compounds (Training set)
5.916773	bmlr: MLR model of diverse drug-like compounds (Training set)