Compound 1792
Identifiers
- Canonical SMILES:
CC[C@H](N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3)C(=O)OC(C)(C)C
External links
 0R2 |
Bibliography (1)
Pharmacological data
| Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
|---|---|---|---|
| 1 | 1 | 0 | 0 |
Targets
| PPI family | Best activity | Diseases | MMoA |
|---|---|---|---|
| MDM2-Like / P53 | 8.37 | cancer | Inhibition |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | not available | |||
| HBA | not available | |||
| HBD | not available | |||
| HBA + HBD | not available | |||
| AlogP | not available | |||
| TPSA | not available | |||
| RB | not available |
Radar chart
Compound properties unavailable
PCA : iPPI-DB chemical space
PCA : Correlation circle
Efficiencies: iPPI-DB biplot LE versus LLE
Summary
| Bibliographic ressources | Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
|---|---|---|---|---|
| 1 | 1 | 1 | 0 | 0 |
Pharmacological data
| Bibliography | Name | Target | Competition | Assay type | Assay name | Cell line | Activity type | Activity |
|---|---|---|---|---|---|---|---|---|
| 10.1021/jm300354j | compound 23 | MDM2 Q00987 |
P53 P04637 |
Biochemical assay | HTRF | pIC50 (half maximal inhibitory concentration, -log10) | 8.37 | |
| 10.1021/jm300354j | compound 23 | MDM2 Q00987 |
P53 P04637 |
Cellular assay | EdU Cell Proliferation Assay | SJSA-1 cells | pIC50 (half maximal inhibitory concentration, -log10) | 6.32 |
| Ta | Structure | Name | Drugbank ID |
|---|