Compound Detail
CHEMBL540478
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C=COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL540478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQHRWHVFHMEHCU-DTXPUJKBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
644.9
MW (Da)
5.14
ALogP
7
HBA
4
HBD
151.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.78 | 6.28 | 165.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 165.0 | nM | 6.78 | Inhibition of post acidic activity of proteasome from human PBMC after 30 mins b... | 19577931 |
| Unchecked | IC50 | = | 1670.0 | nM | 5.78 | Inhibition of post acidic activity of proteasome from human LCL after 30 mins by... | 19577931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19577931 | 10.1016/j.bmc.2009.06.025 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine