Compound Detail
CHEMBL3128248
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3128248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWKZPPKHJFXTEU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
5.02
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit CHEMBL3492 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of 20s immunoproteasome beta 2 subunit trypsin-like activity in human... | 24534487 |
| Unchecked | IC50 | = | 9900.0 | nM | 5.0 | Inhibition of 20s constitutive proteasome beta 2 subunit trypsin-like activity i... | 24534487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24534487 | 10.1016/j.bmcl.2014.01.072 | Unchecked | 1 |
| 24534487 | 10.1016/j.bmcl.2014.01.072 | Proteasome component C5 | 1 |
| 24534487 | 10.1016/j.bmcl.2014.01.072 | Proteasome Macropain subunit | 1 |
| 24534487 | 10.1016/j.bmcl.2014.01.072 | Proteasome Macropain subunit MB1 | 1 |
Data from ChEMBL 36 via Core Engine