Compound Detail
CHEMBL539909
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C=COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCCCCNC(=O)OCc1ccccc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL539909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOTXEXJVLSQVBI-GNKBHMEESA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
590.7
MW (Da)
2.31
ALogP
8
HBA
5
HBD
172.2
PSA (Ų)
0.09
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.3167 | 198.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 198.0 | nM | 6.7 | Inhibition of post acidic activity of proteasome from human PBMC after 30 mins b... | 19577931 |
| Unchecked | IC50 | = | 410.0 | nM | 6.39 | Inhibition of post acidic activity of proteasome from human PBMC after 30 mins b... | 19577931 |
| Unchecked | IC50 | = | 1390.0 | nM | 5.86 | 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 | 9 |
| 19577931 | 10.1016/j.bmc.2009.06.025 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine