Structure

InChI Key HHZQLQREDATOBM-CODXZCKSSA-M
Smiles C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-].[Na+]
InChI
InChI=1S/C25H34O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1/t16-,17-,18-,22+,23-,24-,25-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H33NaO8
Molecular Weight 484.52
AlogP 2.2
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 138.2
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 33.0

Bioactivity

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST ISBN DailyMed
Protein: Glucocorticoid receptor

Description: Glucocorticoid receptor

Organism : Homo sapiens

P04150 ENSG00000113580

Cross References

Resources Reference
ChEBI 5782
ChEMBL CHEMBL1200495
FDA SRS 50LQB69S1Z
SureChEMBL SCHEMBL93508