Compound Detail
CHEMBL4850604
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Basic Information
| ChEMBL ID | CHEMBL4850604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHGKWYAFLKLWNU-IRLDBZIGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
4.40
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.1
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | EC50 | 7.1 | 7.1 | 79.4 | 1 |
| Glucocorticoid receptor CHEMBL3368 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | EC50 | = | 79.43 | nM | 7.1 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
| Glucocorticoid receptor | IC50 | = | 2511.89 | nM | 5.6 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 34676039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34676039 | 10.1021/acsmedchemlett.1c00379 | Glucocorticoid receptor | 8 |
Data from ChEMBL 36 via Core Engine