Compound Detail
CHEMBL115904
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Basic Information
| ChEMBL ID | CHEMBL115904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDEIPQPDODOWPI-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
4.83
ALogP
2
HBA
1
HBD
35.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.72
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.72 | 7.72 | 19.0 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 19.0 | nM | 7.72 | Binding affinity against Baculovirus-Expressed hPR-A | 9719599 |
| Progesterone receptor | Ki | = | 19.05 | nM | 7.72 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | IC50 | = | 38.0 | nM | 7.42 | In vitro antagonist activity against human progesterone receptor isoform B(hPR-B... | 9719599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9719599 | 10.1021/jm9801915 | Progesterone receptor | 3 |
| 9719599 | 10.1021/jm9801915 | Androgen receptor | 2 |
| 9719599 | 10.1021/jm9801915 | Estrogen receptor | 2 |
| 9719599 | 10.1021/jm9801915 | Glucocorticoid receptor | 2 |
| 9719599 | 10.1021/jm9801915 | Mineralocorticoid receptor | 2 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine