Compound Detail
CHEMBL1800983
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 | CHEMBL1800983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUNSDNZRZMUTPA-KRWDZBQOSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.35
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.54
Ki 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.54 | 6.9033 | 28.6 | 3 |
| Progesterone receptor CHEMBL208 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 2.2 | nM | 8.66 | Displacement of GS-red from GRapha by fluorescence polarization assay | 21073190 |
| Glucocorticoid receptor | EC50 | = | 28.6 | nM | 7.54 | Transrepression activity of glucocorticoid receptor in human A549 cells expressi... | 21073190 |
| Glucocorticoid receptor | EC50 | = | 119.3 | nM | 6.92 | Transrepression activity of glucocorticoid receptor in human A549 cells assessed... | 21073190 |
| Progesterone receptor | Ki | = | 140.0 | nM | 6.85 | Binding affinity to progesterone receptor by fluorescence polarization assay | 21073190 |
| Glucocorticoid receptor | EC50 | = | 555.8 | nM | 6.25 | Transactivation activity of glucocorticoid receptor ligand binding domain expres... | 21073190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21073190 | 10.1021/jm100957a | Glucocorticoid receptor | 9 |
| 21073190 | 10.1021/jm100957a | Unchecked | 3 |
| 21073190 | 10.1021/jm100957a | Progesterone receptor | 1 |
| 21073190 | 10.1021/jm100957a | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine