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:	CHEMBL1965660
	Name:	5-(2-aminopyrimidin-4-yl)-2-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C15H11Cl2N5O/c16-7-1-2-8(10(17)5-7)13-9(14(18)23)6-12(21-13)11-3-4-20-15(19)22-11/h1-6,21H,(H2,18,23)(H2,19,20,22)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.5	experimental value
6.180633	pls: PLS model of diverse drug-like compounds (Training set)
6.784315	bmlr: MLR model of diverse drug-like compounds (Training set)