Compound Detail
CHEMBL2426650
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Basic Information
| ChEMBL ID | CHEMBL2426650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYWGQPKLQZKRJY-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
5.07
ALogP
7
HBA
1
HBD
85.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.11
Ki 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.11 | 7.04 | 78.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 1.9 | nM | 8.72 | Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence pol... | 23953070 |
| Glucocorticoid receptor | EC50 | = | 78.0 | nM | 7.11 | Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhi... | 23953070 |
| Glucocorticoid receptor | EC50 | = | 106.0 | nM | 6.97 | 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 | 7 |
Data from ChEMBL 36 via Core Engine