Compound Detail
CHEMBL1800979
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Basic Information
| ChEMBL ID | CHEMBL1800979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJBVDFJPKVWCPF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
4.94
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.87
Ki 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 5.87 | 5.87 | 1357.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 2.9 | nM | 8.54 | Displacement of GS-red from GRapha by fluorescence polarization assay | 21073190 |
| Glucocorticoid receptor | EC50 | = | 1357.0 | nM | 5.87 | Transactivation activity at glucocorticoid receptor in human 13D3/Huh7 cells ass... | 21073190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21073190 | 10.1021/jm100957a | Glucocorticoid receptor | 5 |
Data from ChEMBL 36 via Core Engine