Compound Detail
CHEMBL5081507
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Basic Information
| ChEMBL ID | CHEMBL5081507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAQRGDLVCVBLMB-ZIADKAODSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
6.63
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.97 | 7.97 | 10.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 10.7 | nM | 7.97 | Displacement of fluorescent labeled-ligand from ERalpha (unknown origin) by comp... | 34592434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34592434 | 10.1016/j.bmcl.2021.128383 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine