Compound Detail
CHEMBL4175039
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CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCCCCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4175039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFSDBFJUWANYES-SRCNDXSHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2109.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein Mdm4 CHEMBL1255126 | Kd | 8.64 | 8.64 | 2.3 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Kd | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein Mdm4 | Kd | = | 2.3 | nM | 8.64 | Binding affinity to full length human MDM4 by fluorescence polarization assay | 29775303 |
| E3 ubiquitin-protein ligase Mdm2 | Kd | = | 55.0 | nM | 7.26 | Binding affinity to human MDM2 (17 to 125 residues) by fluorescence polarization... | 29775303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29775303 | 10.1021/acs.jmedchem.8b00004 | Protein Mdm4 | 1 |
| 29775303 | 10.1021/acs.jmedchem.8b00004 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 29775303 | 10.1021/acs.jmedchem.8b00004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine