Compound Detail
CHEMBL4216530
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Basic Information
| ChEMBL ID | CHEMBL4216530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJQGMCKJOYFQAO-GFCCVEGCSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.96
ALogP
7
HBA
2
HBD
101.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Ki 2 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 7.98 | 7.95 | 10.4 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.58 | 7.495 | 26.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 10.4 | nM | 7.98 | Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-ta... | 28463487 |
| Bromodomain-containing protein 4 | Ki | = | 12.0 | nM | 7.92 | Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-ta... | 28463487 |
| Bromodomain-containing protein 4 | IC50 | = | 26.4 | nM | 7.58 | Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-ta... | 28463487 |
| Bromodomain-containing protein 4 | IC50 | = | 39.2 | nM | 7.41 | Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-ta... | 28463487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28463487 | 10.1021/acs.jmedchem.7b00193 | Bromodomain-containing protein 4 | 4 |
Data from ChEMBL 36 via Core Engine