Compound Detail
CHEMBL4645137
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Basic Information
| ChEMBL ID | CHEMBL4645137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBLUEXMGRUAPAL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
1.82
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | Ki | = | 158.49 | nM | 6.8 | Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed ... | 32410449 |
| Bromodomain-containing protein 4 | IC50 | = | 39810.72 | nM | 4.4 | Binding affinity to BRD4 (1) (unknown origin) N-terminal bromodomain by TR-FRET ... | 32410449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 4 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 9 | 1 |
Data from ChEMBL 36 via Core Engine