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: | 44 | |
|---|---|---|
| Name: | N-{4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]benzoyl}-D-glutamic acid | |
| Description: | ||
| Labels: | ||
| CAS: | 59-05-2 | |
| InChi Code: | InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1 |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| -0.77 |
experimental value |
| -0.7 |
QSAR: Model for in vitro protein binding assay (Training set) |