Compound Detail
CHEMBL5826803
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O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(F)cc3CC(F)(F)F)sc3cc(O)ccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5826803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRWYGRXMOSBPJW-XCVCLJGOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
7.41
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 9.7 | 8.795 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.2 | nM | 9.7 | ERalpha Degradation (MCF7 Cells): Plate MCF7 cells at 0.3 million cells/mL (100 ... | - |
| Estrogen receptor | IC50 | = | 13.0 | nM | 7.89 | ER Transcription Assay (MCF7 Cells): The ER transcription assay is a reporter as... | - |
Data from ChEMBL 36 via Core Engine