Compound Detail
CHEMBL2426629
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Cc1nnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3c(cnn3-c3ccc(F)cc3)c2)s1
Basic Information
| ChEMBL ID | CHEMBL2426629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEVKSTGBOPMYLM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
6.12
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.85
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 6.85 | 6.85 | 141.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 21.0 | nM | 7.68 | Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence pol... | 23953070 |
| Glucocorticoid receptor | EC50 | = | 141.0 | nM | 6.85 | Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhi... | 23953070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23953070 | 10.1016/j.bmcl.2013.06.089 | Glucocorticoid receptor | 3 |
Data from ChEMBL 36 via Core Engine