Compound Detail
CHEMBL5220412
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Basic Information
| ChEMBL ID | CHEMBL5220412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZYXSDZGSTXXPQ-SSDOTTSWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
269.8
MW (Da)
3.22
ALogP
5
HBA
1
HBD
61.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) usi... | 34898210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34898210 | 10.1021/acs.jmedchem.1c01108 | Bromodomain-containing protein 4 | 2 |
Data from ChEMBL 36 via Core Engine