Structure

InChI Key HHZQLQREDATOBM-CODXZCKSSA-M
Smile C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[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

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist ISBN DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 4 D001249 FDA
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Shock, Septic 3 D012772 ClinicalTrials
Lymphoma, Large-Cell, Anaplastic 2 D017728 ClinicalTrials
Burkitt Lymphoma 2 D002051 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 5782
ChEMBL CHEMBL1200495
EPA CompTox DTXSID2049006
FDA SRS 50LQB69S1Z
SureChEMBL SCHEMBL93508