Compound Detail
CHEMBL2391425
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CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCCNC(=O)c3ccc(CC4CCCCc5c(nnn5CCOc5ccc([C@H]6C[C@]7(C)[C@@H](O)CC[C@H]7[C@@H]7CCc8cc(O)ccc8[C@H]76)cc5)C4(F)F)cc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
Basic Information
| ChEMBL ID | CHEMBL2391425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEVVIPNNDRHRGO-BHOAXTSJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1324.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 15200.0 | nM | 4.82 | Antiproliferative activity against human MCF7 cells expressing estrogen receptor... | 23648180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23648180 | 10.1016/j.bmcl.2013.03.116 | SK-BR-3 | 1 |
| 23648180 | 10.1016/j.bmcl.2013.03.116 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine