Compound Detail
CHEMBL67783
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Basic Information
| ChEMBL ID | CHEMBL67783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFJFQJKZWLXQQX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.64
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.34
Ki 1 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | Ki | 9.28 | 9.28 | 0.5 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Ki | = | 0.525 | nM | 9.28 | Apparent binding affinity against estradiol-stimulated T-47D cell proliferation | 9216828 |
| Estrogen receptor | IC50 | = | 4.6 | nM | 8.34 | Inhibition of estradiol-stimulated T-47D cell proliferation. | 9216828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00141-2 | Rattus norvegicus | 12 |
| 2258908 | 10.1021/jm00174a020 | Estrogen receptor | 4 |
| 9216828 | 10.1021/jm970095o | Estrogen receptor | 2 |
| 2258908 | 10.1021/jm00174a020 | Anti-estrogen binding site (AEBS) | 1 |
Data from ChEMBL 36 via Core Engine