Compound Detail
CHEMBL4086236
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(/N=N\c2ccc(-c3ccccc3)cc2)cc1)NC(=O)OC(C)(C)C)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Basic Information
| ChEMBL ID | CHEMBL4086236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSGMVTJKGPFZFB-SDSUMPLCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
692.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.27 | 6.895 | 54.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 54.0 | nM | 7.27 | Inhibition of chymotrypsin-like activity of 20S proteasome in rabbit 20S proteas... | 28642029 |
| Unchecked | IC50 | = | 303.0 | nM | 6.52 | Inhibition of caspase-like activity of 20S proteasome in rabbit 20S proteasome p... | 28642029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28642029 | 10.1016/j.bmc.2017.06.011 | Unchecked | 2 |
| 28642029 | 10.1016/j.bmc.2017.06.011 | HCT-116 | 2 |
| 28642029 | 10.1016/j.bmc.2017.06.011 | MDA-MB-468 | 1 |
| 28642029 | 10.1016/j.bmc.2017.06.011 | No relevant target | 1 |
| 28642029 | 10.1016/j.bmc.2017.06.011 | MCF-10A | 1 |
Data from ChEMBL 36 via Core Engine