Compound Detail
CHEMBL4084848
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Basic Information
| ChEMBL ID | CHEMBL4084848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTJVCYLHJRYAHT-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.73
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 7.63 | 7.63 | 23.4 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 6.67 | 6.67 | 214.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 23.4 | nM | 7.63 | Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interactio... | 28921985 |
| Protein Mdm4 | IC50 | = | 214.5 | nM | 6.67 | Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interact... | 28921985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28921985 | 10.1021/acs.jmedchem.7b00912 | Protein Mdm4 | 1 |
| 28921985 | 10.1021/acs.jmedchem.7b00912 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine