Compound Detail
CHEMBL5596017
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Basic Information
| ChEMBL ID | CHEMBL5596017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTIKSFBHIDVCFT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
5.76
ALogP
3
HBA
1
HBD
43.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of MDM2 (unknown origin) | 39185935 |
| Protein Mdm4 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of MDMX (unknown origin) | 39185935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39185935 | 10.1021/acs.jmedchem.4c00913 | Protein Mdm4 | 1 |
| 39185935 | 10.1021/acs.jmedchem.4c00913 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine