Compound Detail
CHEMBL4450089
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Basic Information
| ChEMBL ID | CHEMBL4450089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXLXUFQMLZRGPI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.58
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 6309.57 | nM | 5.2 | Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-termina... | 31904959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31904959 | 10.1021/acs.jmedchem.9b01670 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine