Compound Detail
CHEMBL4453541
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Basic Information
| ChEMBL ID | CHEMBL4453541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLMVQZFBRACNBU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
190.3
MW (Da)
3.69
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 7.92 | 7.66 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 12.0 | nM | 7.92 | Binding affinity to human GST-tagged estrogen receptor beta ligand binding domai... | 29741891 |
| Estrogen receptor beta | EC50 | = | 40.0 | nM | 7.4 | Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell... | 29741891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29741891 | 10.1021/acs.jmedchem.7b01601 | Estrogen receptor beta | 3 |
| 29741891 | 10.1021/acs.jmedchem.7b01601 | Estrogen receptor | 2 |
| 29741891 | 10.1021/acs.jmedchem.7b01601 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine