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: | 60 | |
|---|---|---|
| Name: | (6beta,9beta,11alpha,13alpha,14beta,17alpha)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione | |
| Description: | ||
| Labels: | ||
| CAS: | 83-43-2 | |
| InChi Code: | InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14+,15+,17-,19+,20+,21+,22+/m1/s1 |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| -0.22 |
experimental value |
| -0.153 |
QSAR: Model for in vitro protein binding assay (Training set) |