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: | 27 | |
|---|---|---|
| Name: | (9beta,11alpha,13alpha,14beta,17alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione | |
| Description: | ||
| Labels: | ||
| CAS: | 50-24-8 | |
| InChi Code: | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16+,18-,19-,20-,21-/m0/s1 |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| -0.4 |
experimental value |
| -0.31 |
QSAR: Model for in vitro protein binding assay (Training set) |