Compound Detail
CHEMBL5175217
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Basic Information
| ChEMBL ID | CHEMBL5175217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRRMRPLIEUPSEG-KRWDZBQOSA-N |
2
Targets
5
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 8.68 | 8.265 | 2.1 | 2 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 6.56 | 6.2833 | 275.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.kg-1 | Mus musculus |
| F | 37.0 | % | Mus musculus |
| T1/2 | 0.37 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-8 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as s... | 34228444 |
| Proteasome subunit beta type-8 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of 20S immunoproteasome beta-5i subunit in human PBMC using Ac-ANW-lu... | 34228444 |
| Proteasome Macropain subunit MB1 | IC50 | = | 275.0 | nM | 6.56 | Determination of Beta5 Activity: Measurement of Beta5 inhibition is performed in... | - |
| Proteasome Macropain subunit MB1 | IC50 | = | 573.0 | nM | 6.24 | Inhibition of 20S proteasome beta5 subunit in human A549 cells using Suc-LLVY-lu... | 34228444 |
| Proteasome Macropain subunit MB1 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate... | 34228444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34228444 | 10.1021/acs.jmedchem.1c00604 | ADMET | 4 |
| 34228444 | 10.1021/acs.jmedchem.1c00604 | No relevant target | 3 |
| 34228444 | 10.1021/acs.jmedchem.1c00604 | Proteasome subunit beta type-8 | 2 |
| 34228444 | 10.1021/acs.jmedchem.1c00604 | Proteasome Macropain subunit MB1 | 2 |
| 34228444 | 10.1021/acs.jmedchem.1c00604 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine