Compound Detail
CHEMBL236947
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Basic Information
| ChEMBL ID | CHEMBL236947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCRLBLALCUKJDG-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
4.16
ALogP
5
HBA
3
HBD
93.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.29
EC50 2 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.29 | 8.1325 | 5.1 | 4 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.74 | 7.24 | 18.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 5.129 | nM | 8.29 | Binding affinity to glucocorticoid receptor | 17616395 |
| Glucocorticoid receptor | IC50 | = | 5.754 | nM | 8.24 | Binding affinity to glucocorticoid receptor | 17616395 |
| Glucocorticoid receptor | IC50 | = | 5.888 | nM | 8.23 | Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB tra... | 17616395 |
| Glucocorticoid receptor | IC50 | = | 16.98 | nM | 7.77 | Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB tra... | 17616395 |
| Glucocorticoid receptor | EC50 | = | 18.2 | nM | 7.74 | Agonist activity at glucocorticoid receptor in human A549 cells by MMTV transact... | 17616395 |
| Glucocorticoid receptor | EC50 | = | 181.97 | nM | 6.74 | Agonist activity at glucocorticoid receptor in human A549 cells by MMTV transact... | 17616395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17616395 | 10.1016/j.bmcl.2007.06.066 | Glucocorticoid receptor | 12 |
Data from ChEMBL 36 via Core Engine