Compound Detail
CHEMBL5267044
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Basic Information
| ChEMBL ID | CHEMBL5267044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEXMEVPQEPHTAQ-IDUWFGFVSA-N |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
401.8
MW (Da)
4.50
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 7.52 | 7.4933 | 30.0 | 3 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 7.39 | 7.39 | 41.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| U-87 MG CHEMBL614247 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| C20/A4 CHEMBL613871 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of MDM2 (unknown origin) | 39185935 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of human MDM2 | 34286973 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of MDM2 (unknown origin) | 38581730 |
| Protein Mdm4 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human MDM4 | 34286973 |
| Protein Mdm4 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of MDMX (unknown origin) | 39185935 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human U373 MG cells assessed as reduction in ... | 39185935 |
| U-87 MG | IC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against human U-87 MG cells assessed as reduction in ... | 39185935 |
| MCF7 | IC50 | = | 1900.0 | nM | 5.72 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 39185935 |
| C20/A4 | IC50 | = | 4500.0 | nM | 5.35 | Antiproliferative activity against human C20/A4 cells assessed as reduction in c... | 39185935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34286973 | 10.1021/acs.jmedchem.1c00940 | Protein Mdm4 | 1 |
| 34286973 | 10.1021/acs.jmedchem.1c00940 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 38581730 | 10.1016/j.ejmech.2024.116366 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | Protein Mdm4 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | U-87 MG | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | MCF7 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | Unchecked | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | C20/A4 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | T98G | 1 |
Data from ChEMBL 36 via Core Engine