Compound Detail
CHEMBL4638355
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4638355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCJIIOFOFBMUCK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
-0.02
ALogP
5
HBA
3
HBD
100.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.2 | 5.45 | 631.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 630.96 | nM | 6.2 | Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to ... | 32832027 |
| Bromodomain-containing protein 4 | IC50 | = | 630.96 | nM | 6.2 | Binding affinity to 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (u... | 32702236 |
| Bromodomain-containing protein 4 | IC50 | = | 19952.62 | nM | 4.7 | Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to ... | 32832027 |
| Bromodomain-containing protein 4 | IC50 | = | 19952.62 | nM | 4.7 | Binding affinity to 6His-Thr-BRD4 (1 to 477 residues) BD1 domain (unknown origin... | 32702236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32832027 | 10.1021/acsmedchemlett.0c00247 | Bromodomain-containing protein 4 | 3 |
| 32702236 | 10.1021/acs.jmedchem.0c00796 | No relevant target | 3 |
| 32702236 | 10.1021/acs.jmedchem.0c00796 | Bromodomain-containing protein 4 | 2 |
| 32832027 | 10.1021/acsmedchemlett.0c00247 | No relevant target | 1 |
| 32702236 | 10.1021/acs.jmedchem.0c00796 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine