Compound Detail
CHEMBL5220523
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Basic Information
| ChEMBL ID | CHEMBL5220523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCUFFWVFUSXTSP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
2.36
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.5 | 5.25 | 3162.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of BRD4 BD1 (unknown origin) measured by TR-FRET assay | 36378954 |
| Bromodomain-containing protein 4 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of BRD4 BD2 (unknown origin) measured by TR-FRET assay | 36378954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36378954 | 10.1021/acs.jmedchem.2c01102 | Bromodomain-containing protein 4 | 2 |
Data from ChEMBL 36 via Core Engine