Compound Detail
CHEMBL315931
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC21C
Basic Information
| ChEMBL ID | CHEMBL315931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEZBWLHAAKESCK-QMTMZHOHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
525.0
MW (Da)
3.65
ALogP
7
HBA
1
HBD
107.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 8.29 | 8.29 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 5.18 | nM | 8.29 | Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of ra... | 1875343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875343 | 10.1021/jm00112a023 | Mus musculus | 1 |
| 1875343 | 10.1021/jm00112a023 | Rattus norvegicus | 1 |
| 1875343 | 10.1021/jm00112a023 | Glucocorticoid receptor | 1 |
| 1875343 | 10.1021/jm00112a023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine