Compound Detail
CHEMBL62981
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 | CHEMBL62981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLEYQRHXERCYNY-XKZIYDEJSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
6.63
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Ki 2 meas. best 8.1
EC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.1 | 8.1 | 7.9 | 2 |
| Progesterone receptor CHEMBL208 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.49 | 6.49 | 324.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 8.0 | nM | 8.1 | Binding affinity to human progesterone receptor | 12781197 |
| Progesterone receptor | Ki | = | 7.943 | nM | 8.1 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | EC50 | = | 11.0 | nM | 7.96 | Effective concentration for agonist activity towards human progesterone receptor... | 12781197 |
| Androgen receptor | IC50 | = | 250.0 | nM | 6.6 | Antagonist activity against human Androgen receptor | 12781197 |
| Glucocorticoid receptor | IC50 | = | 324.0 | nM | 6.49 | Antagonist activity at glucocorticoid receptor | 12781197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Progesterone receptor | 5 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Androgen receptor | 2 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Glucocorticoid receptor | 2 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Estrogen receptor | 2 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Mineralocorticoid receptor | 2 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine