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:CHEMBL379975
Name:4-(2-chlorophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C20H11ClN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

ValueSource or prediction
7

experimental value

6.9861

pls: PLS model of diverse drug-like compounds (Training set)

6.077665

bmlr: MLR model of diverse drug-like compounds (Training set)