Compound Detail
CHEMBL207202
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COCCOCCN1C(=O)[C@H](c2ccc(Cl)cc2)N([C@H](C)c2ccc(Cl)cc2)C(=O)c2cc(I)ccc21
Basic Information
| ChEMBL ID | CHEMBL207202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDTAPSOLFJDBQB-DWXRJYCRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
653.3
MW (Da)
6.55
ALogP
4
HBA
0
HBD
59.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 5.62 | 5.62 | 2390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 2390.0 | nM | 5.62 | Displacement of p53 mimicking fluorescent peptide from Hdm2 by FP assay | 16630722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16630722 | 10.1016/j.bmcl.2006.03.067 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine