Compound Detail
CHEMBL3326016
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CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCOC(=O)CCCCCCCCC(=O)O[C@H]1[C@@H](C)CCC[C@H]2O[C@H]2C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL3326016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQMWZFLRVHZFJT-SMVDBZBQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1046.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.4 | 4.375 | 40200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 40200.0 | nM | 4.4 | Cytotoxicity against human MCF7 cells after 48 hrs by SRB assay | 25084144 |
| MCF7 | IC50 | = | 45100.0 | nM | 4.35 | Cytotoxicity against human MCF7 cells in presence of 10 mM DTT after 48 hrs by S... | 25084144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25084144 | 10.1016/j.ejmech.2014.07.035 | No relevant target | 10 |
| 25084144 | 10.1016/j.ejmech.2014.07.035 | MCF7 | 2 |
| 25084144 | 10.1016/j.ejmech.2014.07.035 | Serum | 1 |
| 25084144 | 10.1016/j.ejmech.2014.07.035 | A549 | 1 |
Data from ChEMBL 36 via Core Engine