Compound Detail
CHEMBL208562
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C[C@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCCN2CCN(C)CC2)C(=O)[C@@H]1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL208562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUKCQDDVORQLDB-OLILMLBXSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
706.5
MW (Da)
6.11
ALogP
5
HBA
1
HBD
73.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 6.26 | 5.952 | 546.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 546.0 | nM | 6.26 | Displacement of p53 mimicking fluorescent peptide from Hdm2 by FP assay | 16630722 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 704.0 | nM | 6.15 | Inhibition of human MDM2 by fluorescence polarization assay | - |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 704.0 | nM | 6.15 | Inhibition of p53 protein binding to MDM2 (unknown origin) | 31100649 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 800.0 | nM | 6.1 | Antiproliferative activity against wild type p53 MCF7 cell line | 16630722 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 8000.0 | nM | 5.1 | 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 |
| - | 10.1039/C0MD00238K | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 31100649 | 10.1016/j.ejmech.2019.05.018 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine