DEXAMETHASONE ACETATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII K7V8P532WP
EPA CompTox DTXSID8022901
Parent Compound: DEXAMETHASONE

Structure

InChI Key AKUJBENLRBOFTD-RPRRAYFGSA-N
Smiles CC(=O)OCC(=O)[C@@]1(O)[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/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31FO6
Molecular Weight 434.5
AlogP 2.47
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 31.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST ISBN PubMed
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
- - - - 88.69-106.05
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.69-106.05

Target Conservation

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

Cross References

Resources Reference
ChEBI 4463
ChEMBL CHEMBL1530428
DrugBank DB14649
DrugCentral 826
FDA SRS K7V8P532WP
KEGG C08174
PubChem 236702
SureChEMBL SCHEMBL136861
ZINC ZINC000003882068
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