Compound Detail
CHEMBL115619
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CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL115619 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PRFGBMPAHOMAKL-RHNUXINZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
643.8
MW (Da)
6.29
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome CHEMBL612443 | Ki | 10.82 | 10.82 | 0.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 10.82 | 10.82 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome | Ki | = | 0.015 | nM | 10.82 | Inhibitory activity against 20S Proteasome | 9871680 |
| Unchecked | Ki | = | 0.015 | nM | 10.82 | Inhibition of 20S proteasome from human erythrocyte | 20112914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871680 | 10.1016/s0960-894x(98)00029-8 | Proteasome | 1 |
| 20112914 | 10.1021/jm901619n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine