Compound Detail
CHEMBL507701
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CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@H]1CCC[C@@]2(C)O[C@@H]12)Oc1c(F)cc(F)cc1-3
Basic Information
| ChEMBL ID | CHEMBL507701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQAXPAQOUWPHMI-PYTIWUIXSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
6.63
ALogP
3
HBA
1
HBD
33.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.4
Ki 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 9.4 | 8.975 | 0.4 | 2 |
| Progesterone receptor CHEMBL208 | Ki | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 0.4 | nM | 9.4 | Agonist activity at human progesterone receptor | 18553958 |
| Progesterone receptor | Ki | = | 1.2 | nM | 8.92 | Binding affinity at human progesterone receptor | 18553958 |
| Progesterone receptor | EC50 | = | 2.8 | nM | 8.55 | Agonist activity at human progesterone receptor in human T47D cells assessed as ... | 18553958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18553958 | 10.1021/jm8004256 | Progesterone receptor | 5 |
Data from ChEMBL 36 via Core Engine