Compound Detail
CHEMBL2403359
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Basic Information
| ChEMBL ID | CHEMBL2403359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVOBELCYOCEECO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.96
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 6.64 | 6.265 | 230.0 | 2 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.1 | 5.805 | 790.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 230.0 | nM | 6.64 | Antagonist activity at human Gal4-ERalpha assessed as inhibition of 17beta-estra... | 23768907 |
| Estrogen receptor beta | IC50 | = | 790.0 | nM | 6.1 | Antagonist activity at human Gal4-ERbeta assessed as inhibition of 17beta-estrad... | 23768907 |
| Estrogen receptor | IC50 | = | 1300.0 | nM | 5.89 | Competitive Binding Assay: Competitive binding assays were performed by incubati... | - |
| Estrogen receptor beta | IC50 | = | 3100.0 | nM | 5.51 | Competitive Binding Assay: Competitive binding assays were performed by incubati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Estrogen receptor beta | 2 |
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine