Compound Detail
CHEMBL4637791
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Basic Information
| ChEMBL ID | CHEMBL4637791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQXVXGDWQJFFLJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
1.02
ALogP
6
HBA
2
HBD
92.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.0 | 5.55 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 100.0 | nM | 7.0 | Binding affinity to 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (u... | 32702236 |
| Bromodomain-containing protein 4 | IC50 | = | 79432.82 | nM | 4.1 | Binding affinity to 6His-Thr-BRD4 (1 to 477 residues) BD1 domain (unknown origin... | 32702236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32702236 | 10.1021/acs.jmedchem.0c00796 | No relevant target | 4 |
| 32702236 | 10.1021/acs.jmedchem.0c00796 | Bromodomain-containing protein 4 | 2 |
| 32702236 | 10.1021/acs.jmedchem.0c00796 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine