Compound Detail
CHEMBL4534557
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Basic Information
| ChEMBL ID | CHEMBL4534557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXBHDSSLUXMPFX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
4.38
ALogP
5
HBA
0
HBD
39.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.03
Ki 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 3300.0 | nM | 5.48 | Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polariza... | 30019901 |
| Bromodomain-containing protein 4 | IC50 | = | 9400.0 | nM | 5.03 | Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polariza... | 30019901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30019901 | 10.1021/acs.jmedchem.8b00506 | Bromodomain-containing protein 4 | 2 |
Data from ChEMBL 36 via Core Engine