Compound Detail
CHEMBL291808
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Basic Information
| ChEMBL ID | CHEMBL291808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUYNJNWVGIWJRI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
6.03
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.61
Ki 1 meas. best 10.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | Ki | 10.55 | 10.55 | 0.0 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 9.61 | 9.61 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Ki | = | 0.028 | nM | 10.55 | Apparent binding affinity against estradiol-stimulated T-47D cell proliferation | 9216828 |
| Estrogen receptor | IC50 | = | 0.243 | nM | 9.61 | 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 |
| 9216828 | 10.1021/jm970095o | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine