Compound Detail
CHEMBL5438048
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COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2cc(Cl)ccc2F)[C@H]1c1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL5438048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAGXKXMEGGPOIV-QZIGDIDDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
602.5
MW (Da)
6.23
ALogP
5
HBA
4
HBD
113.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein Mdm4 CHEMBL1255126 | Ki | 4.75 | 4.75 | 17621.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Ki | 4.61 | 4.61 | 24699.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein Mdm4 | Ki | = | 17621.0 | nM | 4.75 | Inhibition of MDM4 (14 to 111 residues)/p53 (unknown origin) interaction express... | 38062557 |
| E3 ubiquitin-protein ligase Mdm2 | Ki | = | 24699.0 | nM | 4.61 | Inhibition of MDM2 (1 to 118 residues)/p53 (unknown origin) interaction expresse... | 38062557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38062557 | 10.1021/acs.jmedchem.3c01815 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 38062557 | 10.1021/acs.jmedchem.3c01815 | Protein Mdm4 | 1 |
Data from ChEMBL 36 via Core Engine