Compound Detail
CHEMBL3898621
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C=CCOc1ccc(CCC(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(OCC=C)cc3)C(=O)N[C@@H](Cc3ccccc3)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL3898621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFMJIBLHUPTRST-UTYOQBRESA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
783.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.98
Ki 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.98 | 6.23 | 104.0 | 2 |
| Proteasome subunit beta type-8 CHEMBL1944492 | IC50 | 6.95 | 6.95 | 113.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.88 | 5.88 | 1309.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 104.0 | nM | 6.98 | Inhibition of chymotrypsin like activity of rabbit 20S proteasome using Suc-Leu-... | 27994734 |
| Proteasome subunit beta type-8 | IC50 | = | 113.3 | nM | 6.95 | Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i s... | 27994734 |
| Unchecked | Ki | = | 1309.8 | nM | 5.88 | Inhibition of bovine alpha chymotrypsin using Ala-Ala-Phe-7-AMC as substrate mea... | 27994734 |
| Unchecked | IC50 | = | 3343.3 | nM | 5.48 | 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 | Unchecked | 5 |
| 27994734 | 10.1021/acsmedchemlett.6b00217 | Proteasome subunit beta type-8 | 1 |
Data from ChEMBL 36 via Core Engine