Compound Detail
CHEMBL330726
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Basic Information
| ChEMBL ID | CHEMBL330726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIYVQJUFCNEEDW-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
6.20
ALogP
2
HBA
1
HBD
17.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.11
IC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.11 | 7.11 | 77.0 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 6.38 | 6.38 | 416.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 77.0 | nM | 7.11 | Binding affinity against human progesterone receptor-A (hPR-A) | 9873612 |
| Progesterone receptor | Ki | = | 77.62 | nM | 7.11 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | IC50 | = | 416.0 | nM | 6.38 | Antagonist activity against human progesterone receptor B (hPR-B) in co-transfec... | 9873612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873612 | 10.1016/s0960-894x(98)00482-x | Progesterone receptor | 3 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine