Compound Detail
CHEMBL1801003
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1801003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLUCUUURIXFPNS-IBGZPJMESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.85
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.63
Ki 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.14 | 8.14 | 7.3 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 5.63 | 5.63 | 2325.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 7.3 | nM | 8.14 | Displacement of GS-red from GRapha by fluorescence polarization assay | 21073190 |
| Glucocorticoid receptor | EC50 | = | 2325.0 | nM | 5.63 | 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 | 6 |
Data from ChEMBL 36 via Core Engine