Structure

InChI Key WJOHZNCJWYWUJD-IUGZLZTKSA-N
Smile CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
InChI
InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32F2O7
Molecular Weight 494.53
AlogP 2.94
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 99.13
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist PubMed
Primary Target
Glucocorticoid receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Skin Diseases 4 D012871 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials
Psoriasis 0 D011565 ClinicalTrials

Related Entries

MCS

Scaffolds

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
27.19
Skin and subcutaneous tissue disorders
19.67
Injury, poisoning and procedural complications
18.8
Nervous system disorders
6.02
Eye disorders
5.01
Product issues
3.88
Psychiatric disorders
3.26
Gastrointestinal disorders
2.38
Immune system disorders
2.26

Cross References

Resources Reference
CAS NUMBER 356-12-7
ChEBI 5109
ChEMBL CHEMBL1501
DrugBank DB01047
DrugCentral 1205
EPA CompTox DTXSID8045307
FDA SRS 2W4A77YPAN
Human Metabolome Database HMDB0015181
Guide to Pharmacology 7078
PharmGKB PA449664
PubChem 9642
SureChEMBL SCHEMBL4262
ZINC ZINC000003977978