Compound Detail
CHEMBL4288293
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CC(C)c1ccc(CNC(=O)[C@H](C[C@]2(O)C(=O)Nc3ccccc32)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL4288293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWVFSNZRJFQHSF-IRWACRBRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
792.0
MW (Da)
5.36
ALogP
8
HBA
6
HBD
184.2
PSA (Ų)
0.09
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 4.77 | 4.77 | 17100.0 | 1 |
| Proteasome component C5 CHEMBL4208 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human 20S constitutive proteasome beta-5 using Suc-LLVY-AMC as sub... | 29339252 |
| Proteasome subunit beta type-8 | IC50 | = | 17100.0 | nM | 4.77 | Inhibition of human 20S immunoproteasome beta-5 using Suc-LLVY-AMC as substrate ... | 29339252 |
| Proteasome component C5 | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of human 20S constitutive proteasome beta-1 using Z-LLE-betaNA as sub... | 29339252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome Macropain subunit MB1 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-8 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome component C5 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-10 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome Macropain subunit | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-9 | 1 |
Data from ChEMBL 36 via Core Engine