Compound Detail
CHEMBL5948804
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O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)sc3cc(O)ccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5948804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZMNSCSRLDNMBW-XCVCLJGOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.4
MW (Da)
8.20
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 9.0 | 8.14 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 1.0 | nM | 9.0 | ERalpha Degradation (MCF7 Cells): Plate MCF7 cells at 0.3 million cells/mL (100 ... | - |
| Estrogen receptor | IC50 | = | 53.0 | nM | 7.28 | ER Transcription Assay (MCF7 Cells): The ER transcription assay is a reporter as... | - |
Data from ChEMBL 36 via Core Engine