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:	CHEMBL2004515
	Name:	4-(1,3-benzodioxol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C13H9N3O2/c1-2-10-11(18-7-17-10)5-8(1)12-9-3-4-14-13(9)16-6-15-12/h1-6H,7H2,(H,14,15,16)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.4	experimental value
6.185837	pls: PLS model of diverse drug-like compounds (Training set)
6.738817	bmlr: MLR model of diverse drug-like compounds (Training set)