Compound Detail
CHEMBL65690
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Basic Information
| ChEMBL ID | CHEMBL65690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRWXHHASXOUVMH-FBHDLOMBSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
6.80
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.77
IC50 1 meas. best 6.75
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 8.77 | 8.77 | 1.7 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.75 | 6.75 | 177.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 1.7 | nM | 8.77 | Effective concentration for agonist activity towards human progesterone receptor... | 12781197 |
| Progesterone receptor | Ki | = | 2.5 | nM | 8.6 | Binding affinity for human progesterone receptor; Not active | 12781197 |
| Glucocorticoid receptor | IC50 | = | 177.0 | nM | 6.75 | Antagonist activity at glucocorticoid (hGR) 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 |
Data from ChEMBL 36 via Core Engine