Compound Detail
CHEMBL4282474
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COC[C@@H](OC)C(=O)O[C@H](CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O
Basic Information
| ChEMBL ID | CHEMBL4282474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYDMLFOHENLMIN-GTNGWFEESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1027.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Kd 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Actin, alpha skeletal muscle CHEMBL4523260 | Kd | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 0.5 | nM | 9.3 | Cytotoxicity against mouse B16 cells | 38401158 |
| Actin, alpha skeletal muscle | Kd | = | 13.0 | nM | 7.89 | Induction of rabbit skeletal muscle actin depolymerization measured after 120 mi... | 27161875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38401158 | 10.1021/acs.jmedchem.3c01532 | Cell membrane | 2 |
| 29613787 | 10.1021/acs.jnatprod.8b00101 | 3Y1 cell line | 1 |
| 27161875 | 10.1016/j.bmc.2016.04.049 | Actin, alpha skeletal muscle | 1 |
| 27161875 | 10.1016/j.bmc.2016.04.049 | Unchecked | 1 |
| 38401158 | 10.1021/acs.jmedchem.3c01532 | A549 | 1 |
| 38401158 | 10.1021/acs.jmedchem.3c01532 | B16 | 1 |
Data from ChEMBL 36 via Core Engine