Compound Detail
CHEMBL4459169
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Basic Information
| ChEMBL ID | CHEMBL4459169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEBXPHVMHGJWDW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.09
ALogP
5
HBA
0
HBD
49.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.8 | 6.45 | 158.5 | 2 |
| Bromodomain adjacent to zinc finger domain protein 2A CHEMBL3108642 | 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 | = | 158.49 | nM | 6.8 | Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-termina... | 31904959 |
| Bromodomain-containing protein 4 | IC50 | = | 794.33 | nM | 6.1 | Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-termina... | 31904959 |
| Bromodomain adjacent to zinc finger domain protein 2A | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of BAZ2A (unknown origin) by TR-FRET assay | 31904959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31904959 | 10.1021/acs.jmedchem.9b01670 | Bromodomain-containing protein 4 | 2 |
| 31904959 | 10.1021/acs.jmedchem.9b01670 | Bromodomain adjacent to zinc finger domain protein 2A | 2 |
| 31904959 | 10.1021/acs.jmedchem.9b01670 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine