Compound Detail
CHEMBL2326536
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)[C@@]1(C)CO1
Basic Information
| ChEMBL ID | CHEMBL2326536 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GLEVKFPQJVHKFR-WUUJHKNYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
619.8
MW (Da)
3.64
ALogP
7
HBA
4
HBD
191.7
PSA (Ų)
0.07
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.0 | 6.875 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of chymotrypsin-like activity of rabbit 26s proteasome beta 5 subunit... | 23320547 |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | 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