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:	CHEMBL1980329
	Name:	6-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C19H14N2O2/c22-15-6-3-12(4-7-15)13-5-8-16-17(11-14-2-1-9-20-14)19(23)21-18(16)10-13/h1-11,20,22H,(H,21,23)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
8.1	experimental value
7.512772	pls: PLS model of diverse drug-like compounds (Training set)
6.825927	bmlr: MLR model of diverse drug-like compounds (Training set)