Compound Detail
CHEMBL4204198
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CCC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1cccc(C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c1
Basic Information
| ChEMBL ID | CHEMBL4204198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJFOFKHJRXMTCK-GQYFIECQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1291.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit CHEMBL3492 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit | IC50 | = | 350.0 | nM | 6.46 | Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as... | 29407987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407987 | 10.1016/j.ejmech.2018.01.045 | Proteasome component C5 | 2 |
| 29407987 | 10.1016/j.ejmech.2018.01.045 | Proteasome Macropain subunit | 2 |
| 29407987 | 10.1016/j.ejmech.2018.01.045 | Proteasome Macropain subunit MB1 | 2 |
Data from ChEMBL 36 via Core Engine