Compound Detail
CHEMBL4749043
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CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)B(O)O
Basic Information
| ChEMBL ID | CHEMBL4749043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQRLJTJWBLQQJM-MAZHCROVSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
375.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-9 CHEMBL1944495 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.66 | 1500.0 | 2 |
| Proteasome component C5 CHEMBL4208 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-9 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity us... | 30373366 |
| Proteasome subunit beta type-8 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of human 20S immunoproteasome beta 5 subunit chymotrypsin-like activi... | 30373366 |
| Proteasome Macropain subunit MB1 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human 20S constitutive proteasome beta 5 subunit chymotrypsin-like... | 30373366 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Plasmodium falciparum 20S proteasome beta 5 subunit chymotrypsin-l... | 30373366 |
| Unchecked | IC50 | = | 3190.0 | nM | 5.5 | Inhibition of Plasmodium falciparum 20S proteasome beta 1 subunit caspase-like a... | 30373366 |
| Proteasome component C5 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like acti... | 30373366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30373366 | 10.1021/acs.jmedchem.8b01161 | Unchecked | 7 |
| 30373366 | 10.1021/acs.jmedchem.8b01161 | Plasmodium falciparum | 5 |
| 30373366 | 10.1021/acs.jmedchem.8b01161 | Proteasome Macropain subunit MB1 | 2 |
| 30373366 | 10.1021/acs.jmedchem.8b01161 | Proteasome subunit beta type-8 | 2 |
| 30373366 | 10.1021/acs.jmedchem.8b01161 | Proteasome component C5 | 1 |
| 30373366 | 10.1021/acs.jmedchem.8b01161 | Proteasome Macropain subunit | 1 |
| 30373366 | 10.1021/acs.jmedchem.8b01161 | Proteasome subunit beta type-9 | 1 |
| 30373366 | 10.1021/acs.jmedchem.8b01161 | Proteasome subunit beta type-10 | 1 |
| 30373366 | 10.1021/acs.jmedchem.8b01161 | HCT-116 | 1 |
| 30373366 | 10.1021/acs.jmedchem.8b01161 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine