Compound Detail
CHEMBL4753115
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Basic Information
| ChEMBL ID | CHEMBL4753115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRRXBSFHJNTCCO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.70
ALogP
3
HBA
2
HBD
64.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 10.3 | 10.3 | 0.1 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 7.35 | 7.35 | 44.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 0.05 | nM | 10.3 | Agonist activity at human ERbeta receptor expressed in HEK293T cells transfected... | 27692995 |
| Estrogen receptor | EC50 | = | 44.4 | nM | 7.35 | Agonist activity at human ERalpha receptor expressed in HEK293T cells transfecte... | 27692995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27692995 | 10.1016/j.bmc.2016.09.047 | Estrogen receptor beta | 2 |
| 27692995 | 10.1016/j.bmc.2016.09.047 | Estrogen receptor | 2 |
| 27692995 | 10.1016/j.bmc.2016.09.047 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine