Compound Detail
CHEMBL2326271
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CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)[C@@]1(C)CO1
Basic Information
| ChEMBL ID | CHEMBL2326271 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FOEYGZQGQWCGML-CFLDLGCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.7
MW (Da)
-1.61
ALogP
7
HBA
9
HBD
240.7
PSA (Ų)
0.05
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Inhibition of trypsin-like activity of rabbit 26s proteasome beta 2 subunit asse... | 23320547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23320547 | 10.1021/jm3016987 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine