Compound Detail
CHEMBL4867580
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Basic Information
| ChEMBL ID | CHEMBL4867580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INZCSVVZDUIXSN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.03
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.4 | 5.0 | 3981.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 3981.07 | nM | 5.4 | Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD... | 34232650 |
| Bromodomain-containing protein 4 | IC50 | = | 25118.86 | nM | 4.6 | Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD1/BD... | 34232650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34232650 | 10.1021/acs.jmedchem.0c02155 | Bromodomain-containing protein 4 | 3 |
| 34232650 | 10.1021/acs.jmedchem.0c02155 | No relevant target | 2 |
| 34232650 | 10.1021/acs.jmedchem.0c02155 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine