Compound Detail
CHEMBL5407972
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Basic Information
| ChEMBL ID | CHEMBL5407972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJBYPBSYPDAGHO-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.82
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Ki 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | Ki | 6.07 | 6.07 | 860.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | Ki | = | 340.0 | nM | 6.47 | Displacement of FAM-labeled BI-FAMb from N-terminal His TEV-tagged human recombi... | 37552884 |
| Bromodomain-containing protein 7 | Ki | = | 860.0 | nM | 6.07 | Displacement of FAM-labeled BI-FAMb from N-terminal His TEV-tagged human recombi... | 37552884 |
| Bromodomain-containing protein 9 | IC50 | = | 4000.0 | nM | 5.4 | Displacement of FAM-labeled BI-FAMb from N-terminal His TEV-tagged human recombi... | 37552884 |
| Bromodomain-containing protein 7 | IC50 | = | 8100.0 | nM | 5.09 | Displacement of FAM-labeled BI-FAMb from N-terminal His TEV-tagged human recombi... | 37552884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37552884 | 10.1021/acs.jmedchem.3c00671 | Bromodomain-containing protein 7 | 3 |
| 37552884 | 10.1021/acs.jmedchem.3c00671 | Bromodomain-containing protein 9 | 3 |
Data from ChEMBL 36 via Core Engine