Compound Detail
CHEMBL4529479
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C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC3=[N+]4C(=Cc5c(C)cc(C)n5[B-]4(F)F)C=C3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4529479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFIFMSKTQWZJCH-WBFWKEBZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
758.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | EC50 | 4.54 | 4.54 | 28900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | EC50 | = | 28900.0 | nM | 4.54 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in... | 31718946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31718946 | 10.1016/j.ejmech.2019.111858 | A-375 | 1 |
| 31718946 | 10.1016/j.ejmech.2019.111858 | HT-29 | 1 |
| 31718946 | 10.1016/j.ejmech.2019.111858 | MCF7 | 1 |
| 31718946 | 10.1016/j.ejmech.2019.111858 | A2780 | 1 |
| 31718946 | 10.1016/j.ejmech.2019.111858 | FaDu | 1 |
| 31718946 | 10.1016/j.ejmech.2019.111858 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine