Compound Detail
CHEMBL378662
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C[C@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(C(=O)CN2CCNCC2)C(=O)[C@@H]1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL378662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIJXNUYNRMFKPQ-CRYYWNKWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
692.4
MW (Da)
4.90
ALogP
6
HBA
2
HBD
99.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 1550.0 | nM | 5.81 | 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