Compound Detail
CHEMBL5171825
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CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5171825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMTYOOYHLZDMOH-YDALLXLXSA-N |
| Parent Compound | CHEMBL2141296 |
| Active Moiety | CHEMBL2141296 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
361.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-9 CHEMBL1944495 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Proteasome subunit beta type-6 CHEMBL1944496 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Proteasome subunit beta type-10 CHEMBL3317334 | IC50 | 5.31 | 5.31 | 4874.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-9 | IC50 | = | 2.7 | nM | 8.57 | Inhibition of human 20S immunoproteasome beta-1i subunit using (Ac-PAL)2R110 as ... | 34228444 |
| Proteasome subunit beta type-8 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as s... | 34228444 |
| Proteasome Macropain subunit MB1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate... | 34228444 |
| Proteasome subunit beta type-6 | IC50 | = | 64.0 | nM | 7.19 | Inhibition of human 20S immunoproteasome beta1 subunit using Ac-nLPnLD-AMC as su... | 34228444 |
| Proteasome subunit beta type-10 | IC50 | = | 4874.0 | nM | 5.31 | Inhibition of human 20S immunoproteasome beta-2i subunit using Ac-RLR-AMC as sub... | 34228444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34228444 | 10.1021/acs.jmedchem.1c00604 | Proteasome subunit beta type-9 | 1 |
| 34228444 | 10.1021/acs.jmedchem.1c00604 | Proteasome subunit beta type-10 | 1 |
| 34228444 | 10.1021/acs.jmedchem.1c00604 | Proteasome subunit beta type-8 | 1 |
| 34228444 | 10.1021/acs.jmedchem.1c00604 | Proteasome subunit beta type-6 | 1 |
| 34228444 | 10.1021/acs.jmedchem.1c00604 | Proteasome subunit beta type-7 | 1 |
| 34228444 | 10.1021/acs.jmedchem.1c00604 | Proteasome Macropain subunit MB1 | 1 |
Data from ChEMBL 36 via Core Engine