Compound Detail
CHEMBL519599
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Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(/C=C/C(=O)N2CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL519599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYDVZRCBSUKEDF-CNHKJKLMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
5.95
ALogP
5
HBA
2
HBD
78.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at human ERalpha receptor expressed in HEC1 cells assessed a... | 19014882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19014882 | 10.1016/j.bmcl.2008.11.006 | Estrogen receptor | 2 |
| 19014882 | 10.1016/j.bmcl.2008.11.006 | Estrogen receptor beta | 1 |
| 19014882 | 10.1016/j.bmcl.2008.11.006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine