Compound Detail
CHEMBL4581589
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Basic Information
| ChEMBL ID | CHEMBL4581589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIPMIFHUKYBPCG-LUAWRHEFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
2.97
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 680.0 | nM | 6.17 | Binding affinity to human GST-tagged estrogen receptor beta ligand binding domai... | 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 |
Data from ChEMBL 36 via Core Engine