Compound Detail
CHEMBL45386
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Basic Information
| ChEMBL ID | CHEMBL45386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGPYVSISEZHRFQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
6.69
ALogP
6
HBA
2
HBD
70.0
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 500.0 | nM | 6.3 | Antagonism of estrogen action in a mammary tumor cell line was assayed via inhib... | 9003514 |
| MCF7 | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human MCF7 cells | 22405286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9003514 | 10.1021/jm9606352 | Estrogen receptor | 2 |
| 22405286 | 10.1016/j.ejmech.2012.02.021 | Estrogen receptor | 1 |
| 22405286 | 10.1016/j.ejmech.2012.02.021 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine