Compound Detail
CHEMBL473801
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Basic Information
| ChEMBL ID | CHEMBL473801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNTPSJWEFWVLCP-NFOQDIRWSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
4.45
ALogP
4
HBA
1
HBD
65.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.05
EC50 2 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.71 | 7.16 | 19.4 | 2 |
| Progesterone receptor CHEMBL208 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Estrogen receptor CHEMBL206 | Ki | 4.58 | 4.58 | 26300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 0.9 | nM | 9.05 | Displacement of FITC-dexamethasone from human recombinant glucocorticoid recepto... | 19321341 |
| Glucocorticoid receptor | EC50 | = | 19.4 | nM | 7.71 | Transrepression activity at GR in IL-1-beta-stimulated human A549 cells assessed... | 19321341 |
| Progesterone receptor | Ki | = | 34.0 | nM | 7.47 | Displacement of radioligand from progesterone receptor by fluorescence polarizat... | 19321341 |
| Glucocorticoid receptor | EC50 | = | 243.1 | nM | 6.61 | Transrepression activity at GR in PMA-stimulated human A549 cells assessed as in... | 19321341 |
| Estrogen receptor | Ki | = | 26300.0 | nM | 4.58 | Displacement of radioligand from estrogen receptor alpha by fluorescence polariz... | 19321341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Glucocorticoid receptor | 6 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Mineralocorticoid receptor | 2 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Progesterone receptor | 1 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Estrogen receptor | 1 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Androgen receptor | 1 |
| 19321341 | 10.1016/j.bmcl.2009.03.006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine