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:57
Name:2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-
Description:
Labels:
CAS:738-70-5
InChi Code:InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)

Properties

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

ValueSource or prediction
-0.26

experimental value

-0.0924

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