Compound Detail
CHEMBL114388
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CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)B(O)O
Basic Information
| ChEMBL ID | CHEMBL114388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWKOOGAFELWOCD-FKBYEOEOSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
491.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.52
IC50 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome CHEMBL612443 | Ki | 10.52 | 10.52 | 0.0 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 8.21 | 8.21 | 6.1 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.04 | 8.04 | 9.2 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 7.86 | 7.86 | 13.8 | 1 |
| Proteasome component C5 CHEMBL4208 | Ki | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome | Ki | = | 0.03 | nM | 10.52 | Inhibitory activity against 20S Proteasome | 9871680 |
| Proteasome Macropain subunit MB1 | Ki | = | 2.3 | nM | 8.64 | Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome | 16686537 |
| Cathepsin B | Ki | = | 6.1 | nM | 8.21 | Inhibitory activity against Cathepsin B | 9871680 |
| NON-PROTEIN TARGET | IC50 | = | 9.18 | nM | 8.04 | Cytotoxicity against mouse 5TGM1 cells after 48 to 72 hrs by SRB assay | 24119559 |
| RPMI-8226 | IC50 | = | 13.76 | nM | 7.86 | Cytotoxicity against human RPMI8226 cells after 48 to 72 hrs by SRB assay | 24119559 |
| Proteasome component C5 | Ki | = | 48000.0 | nM | 4.32 | Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human ... | 16686537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24119559 | 10.1016/j.bmcl.2013.09.043 | RPMI-8226 | 2 |
| 24119559 | 10.1016/j.bmcl.2013.09.043 | NON-PROTEIN TARGET | 2 |
| 9871680 | 10.1016/s0960-894x(98)00029-8 | Proteasome | 1 |
| 9871680 | 10.1016/s0960-894x(98)00029-8 | Cathepsin B | 1 |
| 16686537 | 10.1021/jm058289o | Cathepsin B | 1 |
| 16686537 | 10.1021/jm058289o | Proteasome component C5 | 1 |
| 16686537 | 10.1021/jm058289o | Proteasome Macropain subunit | 1 |
| 16686537 | 10.1021/jm058289o | Proteasome Macropain subunit MB1 | 1 |
| 16686537 | 10.1021/jm058289o | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine