Compound Detail
CHEMBL4215753
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Basic Information
| ChEMBL ID | CHEMBL4215753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWWTVXPXKVNFDK-PTNGSMBKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.96
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.76
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | Ki | 4.76 | 4.755 | 17500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.59 | 4.59 | 25900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | Ki | = | 17500.0 | nM | 4.76 | Inhibition of 20s immunoproteasome beta5 chymotrypsin-like activity in human spl... | 29292224 |
| Proteasome Macropain subunit MB1 | Ki | = | 17900.0 | nM | 4.75 | Inhibition of 20s constitutive proteasome beta5 chymotrypsin-like activity in hu... | 29292224 |
| Unchecked | IC50 | = | 25900.0 | nM | 4.59 | Growth inhibition of human MM1R cells after 24 hrs by MTT assay | 29292224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29292224 | 10.1016/j.bmcl.2017.12.053 | Proteasome Macropain subunit | 2 |
| 29292224 | 10.1016/j.bmcl.2017.12.053 | Proteasome component C5 | 2 |
| 29292224 | 10.1016/j.bmcl.2017.12.053 | Proteasome Macropain subunit MB1 | 2 |
| 29292224 | 10.1016/j.bmcl.2017.12.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine