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: | 3 | |
|---|---|---|
| Name: | Sumatriptan | |
| Description: | Structure (mol-file) and name does not match | |
| Labels: | ||
| CAS: | 103-90-2 | |
| InChi Code: | InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| -0.81 |
experimental value |
| -0.75 |
QSAR: Model for in vitro protein binding assay (Training set) |