Compound Detail
CHEMBL3086649
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CC[C@@H]1[C@@H](C)O[C@@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL3086649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQUQYYTZXBLSTO-ZQQRVOIPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
1039.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 190.0 | nM | 6.72 | Cytotoxicity against human MCF7 cells assessed as cell growth inhibition | 35063731 |
| HeLa | IC50 | = | 190.0 | nM | 6.72 | Cytotoxicity against human HeLa cells assessed as cell growth inhibition | 35063731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24164206 | 10.1021/np4006794 | Staphylococcus aureus | 6 |
| 24164206 | 10.1021/np4006794 | Enterococcus faecalis | 5 |
| 24164206 | 10.1021/np4006794 | Staphylococcus epidermidis | 3 |
| 24164206 | 10.1021/np4006794 | Klebsiella pneumoniae | 2 |
| 24164206 | 10.1021/np4006794 | Escherichia coli | 2 |
| 24164206 | 10.1021/np4006794 | Enterococcus faecium | 2 |
| 24164206 | 10.1021/np4006794 | Morganella morganii | 1 |
| 24164206 | 10.1021/np4006794 | Pseudomonas aeruginosa | 1 |
| 24164206 | 10.1021/np4006794 | Micrococcus luteus | 1 |
| 26510047 | 10.1021/acs.jnatprod.5b00752 | Staphylococcus aureus | 1 |
| 26510047 | 10.1021/acs.jnatprod.5b00752 | Mycolicibacterium smegmatis | 1 |
| 26510047 | 10.1021/acs.jnatprod.5b00752 | Bacillus subtilis | 1 |
| 26510047 | 10.1021/acs.jnatprod.5b00752 | Pseudomonas aeruginosa | 1 |
| 26510047 | 10.1021/acs.jnatprod.5b00752 | Escherichia coli | 1 |
| 35063731 | 10.1016/j.ejmech.2022.114117 | MCF7 | 1 |
| 35063731 | 10.1016/j.ejmech.2022.114117 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine