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:	CHEMBL1964382
	Name:	2-bromo-4-[2-(3-bromo-4-hydroxy-5-iodophenyl)propan-2-yl]-6-iodophenol
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C15H12Br2I2O2/c1-15(2,7-3-9(16)13(20)11(18)5-7)8-4-10(17)14(21)12(19)6-8/h3-6,20-21H,1-2H3

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.6	experimental value
6.072119	pls: PLS model of diverse drug-like compounds (Training set)
6.054096	bmlr: MLR model of diverse drug-like compounds (Training set)