Compound Detail
CHEMBL3237863
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CC(=O)N[C@@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Basic Information
| ChEMBL ID | CHEMBL3237863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGQMVFMKRZZEEH-JVCXTPEFSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
703.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome CHEMBL2364701 | IC50 | 8.57 | 6.9867 | 2.7 | 3 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.5 | 7.5 | 31.8 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome | IC50 | = | 2.7 | nM | 8.57 | Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-... | 24524217 |
| Proteasome subunit beta type-8 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of beta5i subunit of immunoproteasome (unknown origin) by active-site... | 24524217 |
| HCT-116 | IC50 | = | 31.8 | nM | 7.5 | Inhibition of human HCT116 cell growth | 24524217 |
| Proteasome Macropain subunit MB1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of beta5 subunit of immunoproteasome (unknown origin) by active-site ... | 24524217 |
| 26S proteasome | IC50 | = | 150.0 | nM | 6.82 | Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC ... | 24524217 |
| 26S proteasome | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of trypsin-like activity of human 20S proteasome using Ac-RLR-AMC as ... | 24524217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24524217 | 10.1021/jm500045x | HCT-116 | 6 |
| 24524217 | 10.1021/jm500045x | 26S proteasome | 4 |
| 24524217 | 10.1021/jm500045x | Proteasome subunit beta type-8 | 1 |
| 24524217 | 10.1021/jm500045x | Proteasome Macropain subunit MB1 | 1 |
| 24524217 | 10.1021/jm500045x | Lysosomal protective protein | 1 |
| 24524217 | 10.1021/jm500045x | Cathepsin B | 1 |
| 24524217 | 10.1021/jm500045x | Cathepsin G | 1 |
Data from ChEMBL 36 via Core Engine