Compound Detail
CHEMBL103232
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Basic Information
| ChEMBL ID | CHEMBL103232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POYMYRFGHYKMSL-UHFFFAOYSA-N |
4
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
7.21
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.94
Ki 2 meas. best 9.26
EC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 9.26 | 9.26 | 0.6 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.32 | 6.32 | 481.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.01 | 6.01 | 977.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.5 | 5.5 | 3138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 0.55 | nM | 9.26 | The binding affinity on Human progesterone receptor (hPR-A) using progesterone a... | 9464360 |
| Progesterone receptor | EC50 | = | 14.0 | nM | 7.85 | Agonistic activity to the human progesterone receptor (hPR)assayed in CV-1 cells... | 9464360 |
| Glucocorticoid receptor | Ki | = | 67.0 | nM | 7.17 | Binding affinity was determined on Human glucocorticoid receptor (hAR) using pro... | 9464360 |
| Glucocorticoid receptor | IC50 | = | 115.0 | nM | 6.94 | Antagonistic activity was determined in Human glucocorticoid receptor(hGR) of CV... | 9464360 |
| Androgen receptor | IC50 | = | 481.0 | nM | 6.32 | Antagonistic activity was determined in Human androgen receptor(hAR) of CV-1 cel... | 9464360 |
| Mineralocorticoid receptor | IC50 | = | 977.0 | nM | 6.01 | Antagonistic activity was determined in Human mineralocorticoid receptor(hMR) of... | 9464360 |
| Progesterone receptor | IC50 | = | 3138.0 | nM | 5.5 | Antagonistic activity was determined in Human progesterone receptor(hPR) of CV-1... | 9464360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9464360 | 10.1021/jm9705768 | Progesterone receptor | 5 |
| 9464360 | 10.1021/jm9705768 | Androgen receptor | 3 |
| 9464360 | 10.1021/jm9705768 | Glucocorticoid receptor | 3 |
| 9464360 | 10.1021/jm9705768 | Mineralocorticoid receptor | 2 |
| 9464360 | 10.1021/jm9705768 | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine