Compound Detail
CHEMBL3972546
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)OCc1ccccc1)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 | CHEMBL3972546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQXWXBGEKFJELY-CICYZYKPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
666.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.85 | 6.825 | 14.1 | 2 |
| Proteasome subunit beta type-8 CHEMBL1944492 | IC50 | 6.93 | 6.93 | 117.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14.1 | nM | 7.85 | Inhibition of chymotrypsin like activity of rabbit 20S proteasome using Suc-Leu-... | 27994734 |
| Proteasome subunit beta type-8 | IC50 | = | 117.8 | nM | 6.93 | Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i s... | 27994734 |
| Unchecked | IC50 | = | 1598.0 | nM | 5.8 | Inhibition of caspase like activity of rabbit 20S proteasome using Ac-nLPnLD-AMC... | 27994734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27994734 | 10.1021/acsmedchemlett.6b00217 | NON-PROTEIN TARGET | 24 |
| 27994734 | 10.1021/acsmedchemlett.6b00217 | Unchecked | 9 |
| 27994734 | 10.1021/acsmedchemlett.6b00217 | Proteasome subunit beta type-8 | 1 |
| 27994734 | 10.1021/acsmedchemlett.6b00217 | U-266 | 1 |
Data from ChEMBL 36 via Core Engine