CORTISONE ACETATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 883WKN7W8X
EPA CompTox DTXSID0022858
Parent Compound: CORTISONE

Structure

InChI Key ITRJWOMZKQRYTA-RFZYENFJSA-N
Smiles CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=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/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30O6
Molecular Weight 402.49
AlogP 2.56
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 97.74
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 98.8-103.33
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 98.8-103.33

Target Conservation

Protein: Glucocorticoid receptor
Description: Glucocorticoid receptor
Organism : Homo sapiens
P04150 ENSG00000113580

Cross References

Resources Reference
CAS NUMBER 50-04-4
ChEBI 3897
ChEMBL CHEMBL1650
DrugBank DB01380
DrugCentral 734
FDA SRS 883WKN7W8X
Human Metabolome Database HMDB0015459
KEGG C08173
PharmGKB PA449130
PubChem 5745
SureChEMBL SCHEMBL4501
ZINC ZINC000003875334
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