Compound Detail
CHEMBL431807
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CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1-3
Basic Information
| ChEMBL ID | CHEMBL431807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSWIPPWIWOBVFS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
8.12
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.13
Ki 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 8.13 | 8.13 | 7.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 1.1 | nM | 8.96 | The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells. | 9464361 |
| Progesterone receptor | EC50 | = | 7.4 | nM | 8.13 | Agonistic activity was measured for modulation of hPR-B (human progesterone rece... | 9464361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9464361 | 10.1021/jm9705770 | Progesterone receptor | 3 |
Data from ChEMBL 36 via Core Engine