Compound Detail
CHEMBL5077228
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Basic Information
| ChEMBL ID | CHEMBL5077228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMQWDAHYJBEZPW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
6.05
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.9 | 4.685 | 12500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 12500.0 | nM | 4.9 | Binding affinity to BRD4 BD1 (unknown origin) by fluorescence anisotropy method | 34236185 |
| Bromodomain-containing protein 4 | IC50 | = | 33500.0 | nM | 4.47 | Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method | 34236185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34236185 | 10.1021/acs.jmedchem.1c00933 | Bromodomain-containing protein 4 | 2 |
| 34236185 | 10.1021/acs.jmedchem.1c00933 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine