Compound Detail
CHEMBL4452281
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Basic Information
| ChEMBL ID | CHEMBL4452281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGDBBVMMKPWVLG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
5.43
ALogP
6
HBA
2
HBD
67.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Kd 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | Kd | 5.75 | 5.75 | 1800.0 | 1 |
| Bromodomain testis-specific protein CHEMBL1795185 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli ... | 30253095 |
| Bromodomain-containing protein 4 | Kd | = | 1800.0 | nM | 5.75 | Binding affinity to BRD4 bromodomain 1 (unknown origin) expressed in Escherichia... | 30253095 |
| Bromodomain testis-specific protein | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of human BRDT bromodomain 1 (unknown origin) expressed in Escherichia... | 30253095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30253095 | 10.1021/acs.jmedchem.8b01248 | Bromodomain-containing protein 4 | 5 |
| 30253095 | 10.1021/acs.jmedchem.8b01248 | Bromodomain testis-specific protein | 3 |
| 30253095 | 10.1021/acs.jmedchem.8b01248 | A549 | 1 |
| 30253095 | 10.1021/acs.jmedchem.8b01248 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine