Compound Detail
CHEMBL420767
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
Basic Information
| ChEMBL ID | CHEMBL420767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZUNIDQZQNDLTI-VIZZQPHQSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.14
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.84
IC50 3 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 8.2 | 7.7 | 6.3 | 2 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.84 | 7.84 | 14.3 | 1 |
| Glucocorticoid receptor CHEMBL3368 | EC50 | 7.2 | 6.4 | 63.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 6.31 | nM | 8.2 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
| Glucocorticoid receptor | IC50 | = | 8.8 | nM | 8.06 | Compound was tested for inhibitory activity towards human glucocorticoid recepto... | 15115388 |
| Glucocorticoid receptor | EC50 | = | 14.3 | nM | 7.84 | Ability to induce human IL-6 assay in A549 lung carcinoma cell line. | 15115388 |
| Glucocorticoid receptor | EC50 | = | 63.1 | nM | 7.2 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
| Glucocorticoid receptor | IC50 | = | 63.1 | nM | 7.2 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 36105346 |
| Glucocorticoid receptor | EC50 | = | 2511.89 | nM | 5.6 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 36105346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34676039 | 10.1021/acsmedchemlett.1c00379 | Glucocorticoid receptor | 9 |
| 36105346 | 10.1021/acsmedchemlett.2c00299 | Glucocorticoid receptor | 8 |
| 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