Compound Detail
CHEMBL116231
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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)Cc1ccc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL116231 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | VMRARFFXVUXBHU-DTXPUJKBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
4.94
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome CHEMBL612443 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome | Ki | = | 25.0 | nM | 7.6 | Inhibitory activity against 20S Proteasome | 9871680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871680 | 10.1016/s0960-894x(98)00029-8 | Proteasome | 1 |
Data from ChEMBL 36 via Core Engine