10967/161 - QDB Compounds

QsarDB Repository

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)

ValueSource 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)