Compound Detail
CHEMBL2391427
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CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCc3cn(CCOc4ccc([C@H]5C[C@]6(C)[C@@H](O)CC[C@H]6[C@@H]6CCc7cc(O)ccc7[C@H]65)cc4)nn3)=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 | CHEMBL2391427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTRAPRLEWUTXFQ-PEYLXGACSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1017.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.15
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-BR-3 | IC50 | = | 710.0 | nM | 6.15 | Antiproliferative activity against estrogen receptor deficient human SKBR3 cells... | 23648180 |
| MCF7 | IC50 | = | 1150.0 | nM | 5.94 | 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