Compound Detail
CHEMBL4217753
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CCC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1cccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O)c1
Basic Information
| ChEMBL ID | CHEMBL4217753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QILMXYSQMXEFFS-HTZDTEJJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1022.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome component C5 CHEMBL4208 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 5.21 | 4.915 | 6100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome component C5 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate... | 29407987 |
| Proteasome Macropain subunit MB1 | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-... | 29407987 |
| Proteasome Macropain subunit MB1 | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of chymotrypsin-like activity of human 26S proteasome using Suc-LLVY-... | 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