Compound Detail
CHEMBL5283210
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C[C@](O)(c1cccc(F)c1)c1cn(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
Basic Information
| ChEMBL ID | CHEMBL5283210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBMOKBVCAMUJIP-OMSXQUQNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
-1.35
ALogP
9
HBA
5
HBD
141.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 10.89 | 10.89 | 0.0 | 1 |
| Tumour suppressor protein p53/Mdm4 CHEMBL2221344 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 0.013 | nM | 10.89 | Inhibition of human DM2-p53 protein-protein interaction by fluorescence anisotro... | 32871340 |
| Tumour suppressor protein p53/Mdm4 | IC50 | = | 0.24 | nM | 9.62 | 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