Compound Detail
CHEMBL4863202
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Basic Information
| ChEMBL ID | CHEMBL4863202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YACUGZNGHPKJSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
1.60
ALogP
7
HBA
1
HBD
94.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown... | 33662213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33662213 | 10.1021/acs.jmedchem.0c02156 | Bromodomain-containing protein 4 | 2 |
| 33662213 | 10.1021/acs.jmedchem.0c02156 | Unchecked | 1 |
| 33662213 | 10.1021/acs.jmedchem.0c02156 | No relevant target | 1 |
| 33662213 | 10.1021/acs.jmedchem.0c02156 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine