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:	CHEMBL1972355
	Name:	6-(1,3-dihydrobenzimidazol-2-ylidene)-5-methoxy-2-methylchromene-4,7-dione
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C18H14N2O4/c1-9-7-12(21)15-14(24-9)8-13(22)16(17(15)23-2)18-19-10-5-3-4-6-11(10)20-18/h3-8,19-20H,1-2H3

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.1	experimental value
5.883495	pls: PLS model of diverse drug-like compounds (Training set)
6.435882	bmlr: MLR model of diverse drug-like compounds (Training set)