Compound Detail
CHEMBL5592473
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CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
Basic Information
| ChEMBL ID | CHEMBL5592473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIUSVJZXJUTUQG-CPJSRVTESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.8
MW (Da)
6.16
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.41
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of MDM2 (unknown origin) | 39185935 |
| Protein Mdm4 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of MDMX (unknown origin) | 39185935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39185935 | 10.1021/acs.jmedchem.4c00913 | Protein Mdm4 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine