Compound Detail
CHEMBL2396744
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C1Nc2ccc(I)cc2C(=O)N([C@@H](C(=O)O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL2396744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQEQUYKKMMKSSX-VQTJNVASSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
581.2
MW (Da)
5.56
ALogP
3
HBA
2
HBD
86.7
PSA (Ų)
0.40
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | Ki | = | 80.0 | nM | 7.1 | Binding affinity to MDM2 (unknown origin) expressed in Escherichia coli BL21(DE3... | 22789708 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 490.0 | nM | 6.31 | Inhibition of p53 protein binding to MDM2 (unknown origin) | 31100649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22789708 | 10.1016/j.bmc.2012.06.020 | 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