Compound Detail
CHEMBL5201050
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CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNCCO)c1ccc(Cl)cc1F
Basic Information
| ChEMBL ID | CHEMBL5201050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJVXKFRDDISGSK-ULWUHOHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
634.5
MW (Da)
5.99
ALogP
5
HBA
5
HBD
110.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Ki | 4.3 | 4.3 | 50200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | Ki | = | 50200.0 | nM | 4.3 | Displacement of 5-FAM labeled PDI peptide from MDM2 (1 to 118 residues) (unknown... | 35420431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35420431 | 10.1021/acs.jmedchem.2c00095 | Unchecked | 1 |
| 35420431 | 10.1021/acs.jmedchem.2c00095 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine