Compound Detail
CHEMBL2142704
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Basic Information
| ChEMBL ID | CHEMBL2142704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBPWQLMHOSRDMA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
1.83
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 4.5 | 4.5 | 32000.0 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 3.66 | 3.66 | 220000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 32000.0 | nM | 4.5 | Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown ori... | 27190605 |
| CREB-binding protein | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of CBP bromodomain (unknown origin) by AlphaScreen assay | 36695774 |
| Bromodomain-containing protein 4 | IC50 | = | 220000.0 | nM | 3.66 | 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 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 27190605 | 10.1021/acsmedchemlett.6b00075 | Unchecked | 1 |
| 27190605 | 10.1021/acsmedchemlett.6b00075 | Bromodomain-containing protein 4 | 1 |
| 36695774 | 10.1021/acs.jmedchem.2c01638 | CREB-binding protein | 1 |
| 36695774 | 10.1021/acs.jmedchem.2c01638 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine