Compound Detail
CHEMBL3347578
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CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3347578 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IAOFKRFVYOFYTI-KEQPWATNSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1427.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 8.52
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Kd | 8.52 | 8.505 | 3.0 | 2 |
| Protein Mdm4 CHEMBL1255126 | Kd | 8.4 | 8.235 | 4.0 | 2 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.17 | 4.17 | 67600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | Kd | = | 3.0 | nM | 8.52 | Binding affinity to human MDM2 after 30 mins by surface plasmon resonance spectr... | - |
| E3 ubiquitin-protein ligase Mdm2 | Kd | = | 3.2 | nM | 8.49 | Inhibition of p53 binding to MDM2 (unknown origin) after 30 mins by SPR analysis | 28916339 |
| Protein Mdm4 | Kd | = | 4.0 | nM | 8.4 | Binding affinity to human MDMX after 30 mins by surface plasmon resonance spectr... | - |
| Protein Mdm4 | Kd | = | 8.5 | nM | 8.07 | Inhibition of p53 binding to MDMX (unknown origin) after 30 mins by SPR analysis | 28916339 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human MDM2 by ELISA assay | 34286973 |
| Protein Mdm4 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human MDM4 by ELISA assay | 34286973 |
| Unchecked | IC50 | = | 67600.0 | nM | 4.17 | Cytotoxicity against human U87 cells assessed as reduction in cell viability aft... | 28916339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00238K | E3 ubiquitin-protein ligase Mdm2 | 1 |
| - | 10.1039/C0MD00238K | Protein Mdm4 | 1 |
| 28916339 | 10.1016/j.bmcl.2017.09.014 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 28916339 | 10.1016/j.bmcl.2017.09.014 | Unchecked | 1 |
| 28916339 | 10.1016/j.bmcl.2017.09.014 | Protein Mdm4 | 1 |
| 28916339 | 10.1016/j.bmcl.2017.09.014 | Cathepsin G | 1 |
| 34286973 | 10.1021/acs.jmedchem.1c00940 | Protein Mdm4 | 1 |
| 34286973 | 10.1021/acs.jmedchem.1c00940 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine