Structure

InChI Key FQISKWAFAHGMGT-SGJOWKDISA-M
Smile C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12.[Na+]
InChI
InChI=1S/C26H34O8.Na/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24;/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31);/q;+1/p-1/t14-,16-,17-,19-,23+,24-,25-,26-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H33NaO8
Molecular Weight 496.53
AlogP 2.22
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 34.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Inflammation 4 D007249 ClinicalTrials
Asthma 4 D001249 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 3 D020528 ClinicalTrials
Deafness 3 D003638 ClinicalTrials
Graft vs Host Disease 3 D006086 ClinicalTrials
Glomerulonephritis, IGA 3 D005922 ClinicalTrials
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Vestibular Neuronitis 3 D020338 ClinicalTrials
Pneumonia 3 D011014 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 3 D020528 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Glomerulonephritis 3 D005921 ClinicalTrials
Graft vs Host Disease 3 D006086 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Leukemia, Mast-Cell 2 D007946 ClinicalTrials
Lymphoma, Non-Hodgkin 2 D008228 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Chemical and Drug Induced Liver Injury 2 D056486 ClinicalTrials
Pneumonia, Bacterial 2 D018410 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 2 D054198 ClinicalTrials
Immune System Diseases 1 D007154 ClinicalTrials
Epilepsy 1 D004827 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Lupus Erythematosus, Systemic 0 D008180 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
10.52
Infections and infestations
9.7
Nervous system disorders
8.18
Vascular disorders
7.59
Respiratory, thoracic and mediastinal disorders
6.79
Gastrointestinal disorders
6.74
Skin and subcutaneous tissue disorders
5.51
Immune system disorders
4.92
Injury, poisoning and procedural complications
4.72
Investigations
4.69
Psychiatric disorders
4.68
Metabolism and nutrition disorders
4.32
Cardiac disorders
4.05
Musculoskeletal and connective tissue disorders
3.68
Blood and lymphatic system disorders
2.9
Renal and urinary disorders
2.37
Hepatobiliary disorders
2.29
Endocrine disorders
2.11

Cross References

Resources Reference
ChEBI 6890
ChEMBL CHEMBL1201081
EPA CompTox DTXSID2023303
FDA SRS LEC9GKY20K
PubChem 23680530
SureChEMBL SCHEMBL40947