Compound Detail
CHEMBL5276426
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O=C(N[C@@H](Cn1cc(-c2ccccc2)nn1)C(=O)O)OCC1c2ccccc2-c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5276426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXHJGJMHGMOXPI-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.94
ALogP
6
HBA
2
HBD
106.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor protein p53/Mdm4 CHEMBL2221344 | IC50 | 8.61 | 8.61 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor protein p53/Mdm4 | IC50 | = | 2.46 | nM | 8.61 | 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