Compound Detail
CHEMBL1782956
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Basic Information
| ChEMBL ID | CHEMBL1782956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFUGTTJDFJMSGN-RGVLZGJSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
3.95
ALogP
5
HBA
4
HBD
93.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
| Estrogen receptor beta CHEMBL242 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 0.3 | nM | 9.52 | Agonist activity at human full-length ERalpha receptor expressed in human HEC1 c... | 21481497 |
| Estrogen receptor beta | EC50 | = | 0.5 | nM | 9.3 | Agonist activity at human full-length ERbeta receptor expressed in human HEC1 ce... | 21481497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21481497 | 10.1016/j.ejmech.2011.03.030 | Estrogen receptor | 3 |
| 21481497 | 10.1016/j.ejmech.2011.03.030 | Estrogen receptor beta | 3 |
| 21481497 | 10.1016/j.ejmech.2011.03.030 | Unchecked | 3 |
| 24200808 | 10.1016/j.bmcl.2013.09.037 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
Data from ChEMBL 36 via Core Engine