Compound Detail
CHEMBL4862999
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Basic Information
| ChEMBL ID | CHEMBL4862999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEEJHFBYAPXUQA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.87
ALogP
7
HBA
0
HBD
78.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.5 | 7.15 | 31.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 31.62 | nM | 7.5 | Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-termina... | 34387088 |
| Bromodomain-containing protein 4 | IC50 | = | 158.49 | nM | 6.8 | Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secre... | 34387088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34387088 | 10.1021/acs.jmedchem.1c00855 | Bromodomain-containing protein 4 | 2 |
Data from ChEMBL 36 via Core Engine