Compound Detail
CHEMBL282650
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Basic Information
| ChEMBL ID | CHEMBL282650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCEMKOZZXFXATD-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
4.47
ALogP
4
HBA
1
HBD
45.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.42
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 9.42 | 9.41 | 0.4 | 2 |
| T47D CHEMBL614361 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Androgen receptor CHEMBL3056 | IC50 | 6.42 | 6.42 | 379.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.88 | 5.88 | 1316.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 0.38 | nM | 9.42 | Effective concentration against PR (progesterone receptor) | 12657271 |
| Progesterone receptor | EC50 | = | 0.4 | nM | 9.4 | Effective concentration on alkaline phosphatase activity in human T47D breast ca... | 12657271 |
| T47D | EC50 | = | 0.4 | nM | 9.4 | Effective concentration against alkaline phosphatase activity in human T47D brea... | 16078826 |
| Progesterone receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of [3H]P4 to progesterone receptor (PR) of human T47D breast carcinom... | 12657271 |
| Androgen receptor | IC50 | = | 379.0 | nM | 6.42 | Inhibitory activity against Androgen receptor | 12657271 |
| Glucocorticoid receptor | IC50 | = | 1316.0 | nM | 5.88 | Inhibitory activity against GR (glucocorticoid receptor) | 12657271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657271 | 10.1016/s0960-894x(03)00128-8 | Progesterone receptor | 5 |
| 12657271 | 10.1016/s0960-894x(03)00128-8 | Androgen receptor | 2 |
| 12657271 | 10.1016/s0960-894x(03)00128-8 | Glucocorticoid receptor | 2 |
| 16078826 | 10.1021/jm050358b | T47D | 1 |
Data from ChEMBL 36 via Core Engine