Compound Detail
CHEMBL3824351
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Basic Information
| ChEMBL ID | CHEMBL3824351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEAWZAPWYCAHPL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.75
ALogP
5
HBA
0
HBD
43.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | IC50 | 5.48 | 5.48 | 3283.0 | 1 |
| Bromodomain-containing protein 2 CHEMBL1293289 | IC50 | 4.22 | 4.22 | 59555.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.21 | 4.21 | 61917.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | IC50 | = | 134.0 | nM | 6.87 | Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichi... | 26914985 |
| Bromodomain-containing protein 7 | IC50 | = | 3283.0 | nM | 5.48 | Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli usi... | 26914985 |
| Bromodomain-containing protein 2 | IC50 | = | 59555.0 | nM | 4.22 | Inhibition of human N-terminal GST-tagged BRD2-BD1 expressed in Escherichia coli... | 26914985 |
| Bromodomain-containing protein 4 | IC50 | = | 61917.0 | nM | 4.21 | Inhibition of human N-terminal GST-tagged BRD4-BD1 expressed in Escherichia coli... | 26914985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26914985 | 10.1021/acs.jmedchem.5b01865 | Bromodomain-containing protein 4 | 2 |
| 26914985 | 10.1021/acs.jmedchem.5b01865 | Bromodomain-containing protein 9 | 1 |
| 26914985 | 10.1021/acs.jmedchem.5b01865 | Bromodomain-containing protein 7 | 1 |
| 26914985 | 10.1021/acs.jmedchem.5b01865 | Bromodomain-containing protein 2 | 1 |
Data from ChEMBL 36 via Core Engine