Compound Detail
CHEMBL3092609
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Basic Information
| ChEMBL ID | CHEMBL3092609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKEICTONBXTKAQ-OSTYVCCYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
273.7
MW (Da)
0.19
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.44
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | EC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of chymotrypsin like activity of human 20S proteasome after 1 hr by l... | 24269479 |
| Proteasome Macropain subunit MB1 | EC50 | = | 360.0 | nM | 6.44 | Inhibition of chymotrypsin like activity of 20S proteasome in HEK293 cells after... | 24269479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24269479 | 10.1016/j.bmcl.2013.09.066 | Proteasome Macropain subunit MB1 | 2 |
Data from ChEMBL 36 via Core Engine