Compound Detail
CHEMBL5282600
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C[C@](O)(c1ccccc1)c1cn(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)nn1
Basic Information
| ChEMBL ID | CHEMBL5282600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWQXNWWUEZLZDV-CUBQBAPOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
3.53
ALogP
7
HBA
3
HBD
126.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor protein p53/Mdm4 CHEMBL2221344 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor protein p53/Mdm4 | IC50 | = | 5.77 | nM | 8.24 | Inhibition of human DMX-p53 protein-protein interaction by ITC analysis | 32871340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32871340 | 10.1016/j.ejmech.2020.112764 | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
| 32871340 | 10.1016/j.ejmech.2020.112764 | Tumour suppressor protein p53/Mdm4 | 1 |
Data from ChEMBL 36 via Core Engine