Compound Detail
CHEMBL83110
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
Cc1cc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)ccc1F
Basic Information
| ChEMBL ID | CHEMBL83110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQWCKQOYMCYQST-RZFJZAQRSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.94
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.99
IC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.99 | 7.99 | 10.2 | 1 |
| Glutamine synthetase CHEMBL4612 | EC50 | 7.42 | 7.42 | 37.7 | 1 |
| Mus musculus CHEMBL375 | EC50 | 7.26 | 7.26 | 54.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 6.7 | nM | 8.17 | Compound was tested for inhibitory activity towards human glucocorticoid recepto... | 15115388 |
| Glucocorticoid receptor | EC50 | = | 10.2 | nM | 7.99 | Ability to induce human IL-6 assay in A549 lung carcinoma cell line. | 15115388 |
| Glutamine synthetase | EC50 | = | 37.7 | nM | 7.42 | Ability to induce human glutamine synthetase in skeletal muscle cells | 15115388 |
| Mus musculus | EC50 | = | 54.3 | nM | 7.26 | Ability to induce mouse macrophage IL-6 assay in peritoneal exudate cells harves... | 15115388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115388 | 10.1021/jm030585i | Glucocorticoid receptor | 3 |
| 15115388 | 10.1021/jm030585i | Glutamine synthetase | 1 |
| 15115388 | 10.1021/jm030585i | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine