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:	CHEMBL1993877
	Name:	7-cyclopentyl-5-ethynylpyrrolo[2,3-d]pyrimidin-4-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C13H14N4/c1-2-9-7-17(10-5-3-4-6-10)13-11(9)12(14)15-8-16-13/h1,7-8,10H,3-6H2,(H2,14,15,16)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7	experimental value
6.353862	pls: PLS model of diverse drug-like compounds (Training set)
6.729083	bmlr: MLR model of diverse drug-like compounds (Training set)