Compound Detail
CHEMBL404589
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CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL404589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAUKGXATNOVNND-CEAPYEOBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
629.8
MW (Da)
0.26
ALogP
8
HBA
6
HBD
192.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.67 | 129.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 129.0 | nM | 6.89 | Inhibition of trypsin-like activity of 20S proteasome | 18294845 |
| Unchecked | IC50 | = | 354.0 | nM | 6.45 | Inhibition of chymotrypsin-like activity of 20S proteasome | 18294845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18294845 | 10.1016/j.bmcl.2008.02.016 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine