Compound Detail
CHEMBL4594374
DESISOBUTYRYLCICLESONIDE Enter ChEMBL ID:
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C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](C3CCCCC3)O[C@]12C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL4594374 |
| Name | DESISOBUTYRYLCICLESONIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXPLANUPKBHPMS-ZXBNPROVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
2
Known Names
Molecular Properties
470.6
MW (Da)
3.50
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of glucocorticoid receptor (unknown origin) | 38516594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33887440 | 10.1016/j.bmcl.2021.128052 | SARS-CoV-2 | 2 |
| 33887440 | 10.1016/j.bmcl.2021.128052 | Vero C1008 | 1 |
| 38516594 | 10.1039/d3md00674c | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine