Compound Detail
CHEMBL5407143
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O=C(O)/C=C/c1ccc(Oc2c(C(=O)c3ccc(OC(F)(F)F)cc3)sc3cc(F)ccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5407143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFPMKMOMPFBNPK-KGVSQERTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
502.4
MW (Da)
7.06
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 1440.0 | nM | 5.84 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 37019030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37019030 | 10.1016/j.ejmech.2023.115324 | MCF7 | 1 |
| 37019030 | 10.1016/j.ejmech.2023.115324 | Ishikawa | 1 |
| 37019030 | 10.1016/j.ejmech.2023.115324 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine