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Compound Detail

CHEMBL1530428

DEXAMETHASONE ACETATE
💊 Approved Drug
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💊 Approved Drug
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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1530428
Name DEXAMETHASONE ACETATE
Phase Approved
Structure Type MOL
InChI Key AKUJBENLRBOFTD-RPRRAYFGSA-N
Therapeutic ✓ Yes

Known Names

Decadron-la Dectancyl Dexamethasone 21-acetate Dexamethasone acetate Dexamethasone acetate anhydrous Dexamethasone acetate monohydrate Dexamethasoni acetas Dexamethasoni acetas monohydrate Fortecortin (crystal suspension) Neofordex NSC-39471
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
11
Known Names
5
Indications
1
Mechanisms

Molecular Properties

434.5
MW (Da)
2.47
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1973
Availability Discontinued
Chirality Single Enantiomer

Routes of Administration

Parenteral
USAN Year 1979

Extended Properties

Molecular Formula C24H31FO6
MW 434.50
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.00

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Glucocorticoid receptor agonist AGONIST Glucocorticoid receptor ✓ ✓

Indications

Multiple Myeloma Leukemia Pancreatitis Lymphoma Tooth Diseases

Activity Summary

EC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 1 group I member 2
CHEMBL2146315
 EC50 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nuclear receptor subfamily 1 group I member 2 EC50 = 4500.0 nM 5.35 Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase ... 20966043

Literature References

PubMed DOI Target Context # Activities
16472241 10.2174/1570163043334794 Hepatotoxicity 18
2897467 10.1021/jm00401a015 Glucocorticoid receptor 7
30448233 10.1016/j.bmcl.2018.11.016 Mus musculus 6
29202404 10.1016/j.ejmech.2017.07.068 Rattus norvegicus 4
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 3
20966043 10.1124/dmd.110.035105 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
3783574 10.1021/jm00161a001 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
6827553 10.1021/jm00357a003 Homo sapiens 1

Data from ChEMBL 36 via Core Engine