Compound Detail
CHEMBL102179
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Basic Information
| ChEMBL ID | CHEMBL102179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZMLMXPILRMTIR-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
6.60
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.41
IC50 1 meas. best 7.27
Ki 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 3.9 | nM | 8.41 | The binding affinity on Human progesterone receptor (hPR-A) using progesterone a... | 9464360 |
| Progesterone receptor | IC50 | = | 54.0 | nM | 7.27 | Antagonistic activity was determined in Human progesterone receptor(hPR) of CV-1... | 9464360 |
| Progesterone receptor | EC50 | = | 3900.0 | nM | 5.41 | Agonistic activity to the human progesterone receptor (hPR)assayed in CV-1 cells... | 9464360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9464360 | 10.1021/jm9705768 | Progesterone receptor | 5 |
Data from ChEMBL 36 via Core Engine