10967/227 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for human serum albumin binding. Q13-59-0008. Molcode Ltd., 2009.

Compound

ID:76
Name:10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-
Description:
Labels:
CAS:50-53-3
InChi Code:InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

Properties

logK: HPLC chromatographic retention index on immobilized albumin [mM]

ValueSource or prediction
1.1

experimental value

0.793

QSAR: Model for in vitro protein binding assay (Test set)