Compound Detail
CHEMBL4285778
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C=C1C(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)c(O[Si](C)(C)C(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL4285778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMMOIYYBNFIVNK-HSZRJFAPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.54 | 6.54 | 287.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 6.38 | 6.38 | 414.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.18 | 6.18 | 657.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 287.0 | nM | 6.54 | Antiproliferative activity against human A2780 cells after 48 hrs by MTT assay | 29306206 |
| SK-OV-3 | IC50 | = | 414.0 | nM | 6.38 | Antiproliferative activity against human SKOV3 cells after 48 hrs by MTT assay | 29306206 |
| MDA-MB-231 | IC50 | = | 560.0 | nM | 6.25 | Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by MTT as... | 29306206 |
| HeLa | IC50 | = | 657.0 | nM | 6.18 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 29306206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29306206 | 10.1016/j.ejmech.2017.12.004 | A2780 | 1 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | MDA-MB-231 | 1 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | SK-OV-3 | 1 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | HeLa | 1 |
| 27805821 | 10.1021/acs.jmedchem.6b01268 | Tubulin | 1 |
| 27805821 | 10.1021/acs.jmedchem.6b01268 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine