Compound Detail
CHEMBL117461
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Basic Information
| ChEMBL ID | CHEMBL117461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIVWNWQUUDHRMU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
4.13
ALogP
2
HBA
1
HBD
52.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.88 | 7.4633 | 13.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 13.2 | nM | 7.88 | Antagonist activity at progesterone receptor (unknown origin) | 27543880 |
| Progesterone receptor | IC50 | = | 13.6 | nM | 7.87 | Progesterone receptor antagonist activity based on its ability to block progeste... | 12419390 |
| Progesterone receptor | IC50 | = | 230.0 | nM | 6.64 | Inhibition of 3 nM [3H]R5020 binding to progesterone receptor of human T47D cell... | 12419390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12419390 | 10.1016/s0960-894x(02)00746-1 | Progesterone receptor | 2 |
| 12419390 | 10.1016/s0960-894x(02)00746-1 | Rattus norvegicus | 1 |
| 27543880 | 10.1016/j.ejmech.2016.08.011 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine