Compound Detail
CHEMBL4647246
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Basic Information
| ChEMBL ID | CHEMBL4647246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSKPMEGZXPKPER-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
1.70
ALogP
4
HBA
1
HBD
46.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 5.9 | 5.9 | 1258.9 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.6 | 4.6 | 25118.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | IC50 | = | 1258.93 | nM | 5.9 | Binding affinity to BRD9 (unknown origin) N-terminal bromodomain by TR-FRET assa... | 32410449 |
| Bromodomain-containing protein 4 | IC50 | = | 25118.86 | nM | 4.6 | 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 9 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 4 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Unchecked | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine