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:CHEMBL1999484
Name:N,4-dimethyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
Description:
Labels:Training
CAS:
InChi Code:InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

ValueSource or prediction
7.3

experimental value

7.551989

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

6.405654

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