Compound Detail
CHEMBL502723
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CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL502723 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GLLJROCIIOPSCB-MQEOCOHRSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1495.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 8.44
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Kd | 8.44 | 8.08 | 3.6 | 2 |
| Protein Mdm4 CHEMBL1255126 | Kd | 8.21 | 7.66 | 6.1 | 2 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | Kd | = | 3.6 | nM | 8.44 | Binding affinity to human MDM2 by fluorescence polarization assay | - |
| Protein Mdm4 | Kd | = | 6.1 | nM | 8.21 | Binding affinity to human MDMX by fluorescence polarization assay | - |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human GST-tagged MDM2 (1 to 150) expressed in Escherichia coli by ... | - |
| E3 ubiquitin-protein ligase Mdm2 | Kd | = | 19.0 | nM | 7.72 | Binding affinity to human MDM2 after 30 mins by surface plasmon resonance spectr... | - |
| Protein Mdm4 | Kd | = | 77.0 | nM | 7.11 | Binding affinity to human MDMX after 30 mins by surface plasmon resonance spectr... | - |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of interaction between human DMX(1-555) and p53 by ELISA | 19211253 |
| Protein Mdm4 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human GST-tagged MDMX (1 to 200) expressed in Escherichia coli by ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00238K | E3 ubiquitin-protein ligase Mdm2 | 3 |
| - | 10.1039/C0MD00238K | Protein Mdm4 | 3 |
| 19211253 | 10.1016/j.bmc.2009.01.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine