Compound Detail
CHEMBL62761
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 | CHEMBL62761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFRWAMYYBARBJR-UHFFFAOYSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.2
MW (Da)
5.76
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.63
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Ki 2 meas. best 7.91
EC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.91 | 7.91 | 12.3 | 2 |
| Progesterone receptor CHEMBL208 | EC50 | 7.24 | 7.24 | 57.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.34 | 6.34 | 461.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 12.4 | nM | 7.91 | Binding affinity at human progesterone receptor. | 12781198 |
| Progesterone receptor | Ki | = | 12.3 | nM | 7.91 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | EC50 | = | 57.0 | nM | 7.24 | Antagonistic activity at human progesterone receptor in CV-1 cells. | 12781198 |
| Androgen receptor | IC50 | = | 90.0 | nM | 7.05 | Inhibition of antagonist activity towards Androgen receptor | 12781198 |
| Progesterone receptor | IC50 | = | 461.0 | nM | 6.34 | Inhibition of human progesterone receptor activation in T47D human breast cancer... | 12781198 |
| Glucocorticoid receptor | IC50 | = | 2170.0 | nM | 5.66 | Inhibition of antagonist activity towards glucocorticoid receptor | 12781198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781198 | 10.1016/s0960-894x(03)00256-7 | Progesterone receptor | 7 |
| 12781198 | 10.1016/s0960-894x(03)00256-7 | Androgen receptor | 2 |
| 12781198 | 10.1016/s0960-894x(03)00256-7 | Glucocorticoid receptor | 2 |
| 12781198 | 10.1016/s0960-894x(03)00256-7 | Estrogen receptor | 2 |
| 12781198 | 10.1016/s0960-894x(03)00256-7 | Mineralocorticoid receptor | 2 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine