DESOXIMETASONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D07AC03 D07XC02
UNII 4E07GXB7AU
EPA CompTox DTXSID3045647

Structure

InChI Key VWVSBHGCDBMOOT-IIEHVVJPSA-N
Smiles C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
InChI
InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29FO4
Molecular Weight 376.47
AlogP 2.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

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

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 691037
ChEMBL CHEMBL1766
DrugBank DB00547
DrugCentral 819
FDA SRS 4E07GXB7AU
Human Metabolome Database HMDB0014687
Guide to Pharmacology 7067
PharmGKB PA164746011
PubChem 5311067
SureChEMBL SCHEMBL4214
ZINC ZINC000004212854
CONTENTS