Structure

InChI Key CIWBQSYVNNPZIQ-XYWKZLDCSA-N
Smile CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H37FO7
Molecular Weight 504.6
AlogP 3.82
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 106.97
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist PubMed DailyMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Periarthritis 3 D010489 ClinicalTrials
Lichen Planus, Oral 2 D017676 ClinicalTrials
Dermatitis, Atopic 1 D003876 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
13.75
Pregnancy, puerperium and perinatal conditions
12.65
General disorders and administration site conditions
10.78
Skin and subcutaneous tissue disorders
8.36
Nervous system disorders
6.69
Musculoskeletal and connective tissue disorders
5.06
Vascular disorders
4.81
Respiratory, thoracic and mediastinal disorders
4.38
Cardiac disorders
4.15
Psychiatric disorders
4.0
Metabolism and nutrition disorders
3.72
Immune system disorders
3.41
Gastrointestinal disorders
3.25
Investigations
2.64
Infections and infestations
2.59
Endocrine disorders
2.09

Cross References

Resources Reference
ChEBI 31276
ChEMBL CHEMBL1200384
DrugCentral 353
EPA CompTox DTXSID2022672
FDA SRS 826Y60901U
KEGG D01637
PubChem 21800
SureChEMBL SCHEMBL7519
ZINC ZINC000004212137