Structure

InChI Key YNDXUCZADRHECN-JNQJZLCISA-N
Smiles CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI
InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31FO6
Molecular Weight 434.5
AlogP 2.42
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 93.06
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST DailyMed Wikipedia Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 115.53-128.12
Mus musculus
- - - - 25

Target Conservation

Protein: Glucocorticoid receptor

Description: Glucocorticoid receptor

Organism : Homo sapiens

P04150 ENSG00000113580

Related Entries

Cross References

Resources Reference
ChEBI 71418
ChEMBL CHEMBL1504
DrugCentral 2726
FDA SRS F446C597KA
Guide to Pharmacology 2867
KEGG C08183
PDB 1TA
PubChem 6436
SureChEMBL SCHEMBL4689
ZINC ZINC000003875481