Compound Detail
CHEMBL2203818
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Basic Information
| ChEMBL ID | CHEMBL2203818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WINRLKMXNQDAOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.52
ALogP
3
HBA
1
HBD
57.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1640.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 700.0 | nM | Rattus norvegicus |
| T1/2 | 5.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 75.0 | nM | 7.12 | Antagonist activity against progesterone receptor in human T47D cells by alkalin... | 23079530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23079530 | 10.1016/j.bmcl.2012.09.077 | Rattus norvegicus | 3 |
| 23079530 | 10.1016/j.bmcl.2012.09.077 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine