Compound Detail
CHEMBL4209359
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Basic Information
| ChEMBL ID | CHEMBL4209359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAVVBDXGDAIREU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.36
ALogP
6
HBA
0
HBD
69.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 7.64 | 7.635 | 23.0 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 23.0 | nM | 7.64 | Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay | 29169673 |
| CREB-binding protein | IC50 | = | 23.3 | nM | 7.63 | TR-FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| Bromodomain-containing protein 4 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay | 29169673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29169673 | 10.1016/j.bmcl.2017.11.025 | CREB-binding protein | 1 |
| 29169673 | 10.1016/j.bmcl.2017.11.025 | Bromodomain-containing protein 4 | 1 |
| 29169673 | 10.1016/j.bmcl.2017.11.025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine