Compound Detail
CHEMBL611158
EPIDOXOFORM Enter ChEMBL ID:
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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]2C(OCN3CN2CO[C@H]2[C@@H](C)O[C@@H](O[C@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)C[C@@H]23)[C@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL611158 |
| Name | EPIDOXOFORM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNMUJUHEUYMBOT-QYBNAWRNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1123.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| NCI/ADR-RES CHEMBL613829 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 65.0 | nM | 7.19 | Compound was tested for its toxicity against human breast cancer cells(MCF-7) | 9548820 |
| NCI/ADR-RES | IC50 | = | 70.0 | nM | 7.16 | Compound was tested for its toxicity against doxorubicin resistant human breast ... | 9548820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9548820 | 10.1021/jm970739s | MCF7 | 1 |
| 9548820 | 10.1021/jm970739s | NCI/ADR-RES | 1 |
Data from ChEMBL 36 via Core Engine