Compound Detail
CHEMBL5290323
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CC(=O)N[C@@H](CC(C)C)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](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC2CCC2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL5290323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEOCESQEOWHKDQ-HMWZRHKHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1745.1
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Ki 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Protein Mdm4 CHEMBL1255126 | Ki | 8.17 | 8.17 | 6.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 0.9 | nM | 9.05 | Binding affinity to human MDM2 assessed as inhibition constant | 34286973 |
| Protein Mdm4 | Ki | = | 6.8 | nM | 8.17 | Binding affinity to human MDM4 assessed as inhibition constant | 34286973 |
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 |
| 34286973 | 10.1021/acs.jmedchem.1c00940 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine