Compound Detail
CHEMBL377203
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C[C@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCN2CCOCC2)C(=O)[C@@H]1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL377203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXTIZPFXYRRDES-CLYVBNDRSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
679.4
MW (Da)
5.80
ALogP
5
HBA
1
HBD
79.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 6.43 | 5.855 | 367.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 367.0 | nM | 6.43 | Displacement of p53 mimicking fluorescent peptide from Hdm2 by FP assay | 16630722 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of p53-Hdm2 interaction by FP assay | 16647257 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 1300.0 | nM | 5.89 | Antiproliferative activity against wild type p53 MCF7 cell line | 16630722 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 10000.0 | nM | 5.0 | Antiproliferative activity against mutant p53 MDA-MB-231 cell line | 16630722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16630722 | 10.1016/j.bmcl.2006.03.067 | E3 ubiquitin-protein ligase Mdm2 | 3 |
| 16630722 | 10.1016/j.bmcl.2006.03.067 | JAR | 3 |
| 16647257 | 10.1016/j.bmcl.2006.04.009 | JAR | 3 |
| 16647257 | 10.1016/j.bmcl.2006.04.009 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine