Compound Detail
CHEMBL405395
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CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(N)=O)CC1
Basic Information
| ChEMBL ID | CHEMBL405395 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FBKFDSUZBVDZIX-FFGDOFBPSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1209.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione S-transferase A2 CHEMBL2241 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibition of binding towards of human wild-type p53 to GST-hdm2 | 11514160 |
| Glutathione S-transferase A2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of p53 binding to Glutathione S-transferase 2 (hdm2-GST) | 11931608 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 5.0 | nM | 8.3 | Antagonist activity at human GST-tagged MDM2 assessed as inhibition of binding t... | 23541651 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of p53 protein binding to recombinant human GST-tagged MDM2 (1 to 118... | 30199707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11514160 | 10.1016/s0960-894x(01)00394-8 | Unchecked | 1 |
| 11931608 | 10.1021/jm010468s | Glutathione S-transferase A2 | 1 |
| 23541651 | 10.1016/j.bmcl.2013.03.034 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 30199707 | 10.1016/j.ejmech.2018.08.099 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine