Compound Detail
CHEMBL3653220
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COc1ccccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O
Basic Information
| ChEMBL ID | CHEMBL3653220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWTIXCAYTLZJLJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
524.4
MW (Da)
7.64
ALogP
4
HBA
0
HBD
47.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 9.39 | 7.205 | 0.4 | 2 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 6.15 | 5.355 | 710.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 0.41 | nM | 9.39 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
| Protein Mdm4 | IC50 | = | 710.0 | nM | 6.15 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDM2 (2 to 188 ... | 31100649 |
| Protein Mdm4 | IC50 | = | 27800.0 | nM | 4.56 | Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDMX (2 to 185 ... | 31100649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31100649 | 10.1016/j.ejmech.2019.05.018 | Protein Mdm4 | 1 |
| 31100649 | 10.1016/j.ejmech.2019.05.018 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine