Compound Detail
CHEMBL5441116
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CC(C)(C)NC(=O)CC[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc(B(O)O)c1
Basic Information
| ChEMBL ID | CHEMBL5441116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAUWDWPKCJZHJU-NRFANRHFSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
506.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.12
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| MM1.S CHEMBL4296471 | EC50 | 6.12 | 6.12 | 760.0 | 1 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| RPMI-8226 CHEMBL614882 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.31 | 4.31 | 49100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 85.0 | nM | 7.07 | Inhibition of human 20s constitutive proteasome beta-5c | 36608337 |
| MM1.S | EC50 | = | 760.0 | nM | 6.12 | Cytotoxicity against human MM1.S cells after 72 hrs by celltitre-glo assay | 36608337 |
| Proteasome subunit beta type-8 | IC50 | = | 11300.0 | nM | 4.95 | Inhibition of human 20s immunoproteasome beta-5i subunit | 36608337 |
| RPMI-8226 | EC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against human RPMI-8226 cells after 72 hrs by celltitre-glo assay | 36608337 |
| HepG2 | EC50 | = | 49100.0 | nM | 4.31 | Cytotoxicity against human HepG2 cells after 72 hrs by celltitre-glo assay | 36608337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36608337 | 10.1021/acs.jmedchem.2c00733 | Proteasome subunit beta type-9 | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | Proteasome subunit beta type-10 | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | Proteasome Macropain subunit MB1 | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | Proteasome subunit beta type-8 | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | Proteasome component C5 | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | Proteasome Macropain subunit | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | HepG2 | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | MM1.S | 1 |
| 36608337 | 10.1021/acs.jmedchem.2c00733 | RPMI-8226 | 1 |
Data from ChEMBL 36 via Core Engine