Compound Detail
CHEMBL1766
DESOXIMETASONE 💊 Approved Drug
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💊 Approved Drug
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
Basic Information
| ChEMBL ID | CHEMBL1766 |
| Name | DESOXIMETASONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VWVSBHGCDBMOOT-IIEHVVJPSA-N |
| Therapeutic | ✓ Yes |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
20
Publications
16
Known Names
3
Indications
1
Mechanisms
Molecular Properties
376.5
MW (Da)
2.78
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1977 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glucocorticoid receptor agonist | AGONIST | Glucocorticoid receptor | ✓ | ✓ |
Indications
Psoriasis Psoriasis Skin Diseases
ATC Classification
D07AC03
desoximetasone
Level 1: DERMATOLOGICALS
Level 2: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07XC02
desoximetasone
Level 1: DERMATOLOGICALS
Level 2: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
Activity Summary
IC50 3 meas. best 8.59
EC50 2 meas. best 5.0
Ki 2 meas. best 8.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.93 | 8.93 | 1.2 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Progesterone receptor CHEMBL1909044 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Progesterone receptor CHEMBL1909044 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.79 | 4.79 | 16420.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.5 | 4.5 | 31600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 1.169 | nM | 8.93 | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | - |
| Glucocorticoid receptor | IC50 | = | 2.573 | nM | 8.59 | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | - |
| Progesterone receptor | Ki | = | 11.0 | nM | 7.96 | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | - |
| Progesterone receptor | IC50 | = | 84.0 | nM | 7.08 | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | - |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 10000.0 | nM | 5.0 | Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase ... | 20966043 |
| Bile salt export pump | IC50 | = | 16420.0 | nM | 4.79 | Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21... | 22961681 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 31600.0 | nM | 4.5 | Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induc... | 20966043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 20966043 | 10.1124/dmd.110.035105 | Nuclear receptor subfamily 1 group I member 2 | 6 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 23199485 | 10.1016/j.bmc.2012.10.036 | ADMET | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| - | 10.6019/CHEMBL4513141 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
Data from ChEMBL 36 via Core Engine