Compound Detail
CHEMBL3813846
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Basic Information
| ChEMBL ID | CHEMBL3813846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKIQUMIGIBMUJB-MRXNPFEDSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
5.08
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 7.35 | 7.155 | 45.0 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.76 | 5.46 | 1722.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 45.0 | nM | 7.35 | CBP TR-FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, an... | - |
| CREB-binding protein | IC50 | = | 110.0 | nM | 6.96 | Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown ori... | 27190605 |
| Bromodomain-containing protein 4 | IC50 | = | 1722.0 | nM | 5.76 | BRD4 AlphaLisa Binding Assay: His/Flag epitope tagged BRD4 BD142-168 was cloned,... | - |
| Bromodomain-containing protein 4 | IC50 | = | 7000.0 | nM | 5.16 | Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain... | 27190605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27190605 | 10.1021/acsmedchemlett.6b00075 | CREB-binding protein | 3 |
| 27190605 | 10.1021/acsmedchemlett.6b00075 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine