Compound Detail
CHEMBL113099
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Basic Information
| ChEMBL ID | CHEMBL113099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJEFWRFWSGVMAK-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
5.78
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.77
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.16
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.19 | 7.19 | 64.0 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 7.16 | 6.605 | 69.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 64.0 | nM | 7.19 | Binding affinity was determined against hPR-A (human progesterone receptor) usin... | 9873735 |
| Progesterone receptor | EC50 | = | 69.0 | nM | 7.16 | Antagonist activity against hPR (human progesterone receptor) compared to that o... | 9873735 |
| Progesterone receptor | EC50 | = | 890.0 | nM | 6.05 | Agonist activity was determined against hPR (human progesterone receptor) compar... | 9873735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873735 | 10.1016/s0960-894x(98)00608-8 | Progesterone receptor | 5 |
Data from ChEMBL 36 via Core Engine