Compound Detail
CHEMBL303768
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CC1=CC(C)(C)Nc2ccc3c(c21)C(=C(c1ccccc1)c1ccccc1)Oc1ccc(F)cc1-3
Basic Information
| ChEMBL ID | CHEMBL303768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCKHGNOZDLOOKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
8.41
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 5.71 | 5.71 | 1930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 1930.0 | nM | 5.71 | Inhibitory concentration for antagonistic activity towards human progesterone re... | 12781197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Progesterone receptor | 5 |
Data from ChEMBL 36 via Core Engine