Compound Detail
CHEMBL4059725
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CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4059725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEUWOGGAUYQDDW-CCIJQOLZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1477.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Kd | 6.46 | 6.46 | 346.0 | 1 |
| Protein Mdm4 CHEMBL1255126 | Kd | 6.21 | 6.21 | 614.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | Kd | = | 346.0 | nM | 6.46 | Inhibition of p53 binding to MDM2 (unknown origin) after 30 mins by SPR analysis | 28916339 |
| Protein Mdm4 | Kd | = | 614.0 | nM | 6.21 | Inhibition of p53 binding to MDMX (unknown origin) after 30 mins by SPR analysis | 28916339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28916339 | 10.1016/j.bmcl.2017.09.014 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 28916339 | 10.1016/j.bmcl.2017.09.014 | Protein Mdm4 | 1 |
Data from ChEMBL 36 via Core Engine