Compound Detail
CHEMBL1257221
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Basic Information
| ChEMBL ID | CHEMBL1257221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVCDNODZUJDLPU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.4
MW (Da)
4.72
ALogP
6
HBA
2
HBD
84.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 10.0 | nM | 8.0 | Binding affinity to human recombinant glucocorticoid receptor expressed in bacul... | 20727743 |
| Progesterone receptor | IC50 | = | 15.85 | nM | 7.8 | Binding affinity to human recombinant progesterone receptor expressed in baculov... | 20727743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20727743 | 10.1016/j.bmcl.2010.07.125 | Glucocorticoid receptor | 1 |
| 20727743 | 10.1016/j.bmcl.2010.07.125 | Progesterone receptor | 1 |
| 20727743 | 10.1016/j.bmcl.2010.07.125 | Mineralocorticoid receptor | 1 |
| 20727743 | 10.1016/j.bmcl.2010.07.125 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine