Structure

InChI Key LRJOMUJRLNCICJ-JZYPGELDSA-N
Smile CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30O6
Molecular Weight 402.49
AlogP 2.13
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Conjunctivitis, Allergic 4 D003233 ClinicalTrials
Uveitis 3 D014605 ClinicalTrials
Sciatica 3 D012585 ClinicalTrials
Uveitis, Anterior 3 D014606 ClinicalTrials
Cataract 3 D002386 ClinicalTrials
Eye Infections 3 D015817 ClinicalTrials
Low Back Pain 3 D017116 ClinicalTrials
Macular Edema 2 D008269 ClinicalTrials
Retinal Vein Occlusion 2 D012170 ClinicalTrials
Iritis 2 D007500 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
9.88
Infections and infestations
9.53
Injury, poisoning and procedural complications
8.55
Nervous system disorders
7.4
Eye disorders
6.66
Gastrointestinal disorders
5.75
Respiratory, thoracic and mediastinal disorders
5.69
Vascular disorders
5.07
Blood and lymphatic system disorders
4.27
Skin and subcutaneous tissue disorders
4.22
Musculoskeletal and connective tissue disorders
4.13
Metabolism and nutrition disorders
3.37
Cardiac disorders
3.34
Investigations
3.23
Immune system disorders
3.15
Renal and urinary disorders
2.8
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.47
Pregnancy, puerperium and perinatal conditions
2.45
Psychiatric disorders
2.36
Hepatobiliary disorders
2.06

Cross References

Resources Reference
CAS NUMBER 52-21-1
ChEBI 8380
ChEMBL CHEMBL1152
DrugBank DB15566
DrugCentral 2247
EPA CompTox DTXSID3023502
FDA SRS 8B2807733D
KEGG C08180
PubChem 5834
SureChEMBL SCHEMBL7999
ZINC ZINC000003875348