Compound Detail
CHEMBL4173521
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Basic Information
| ChEMBL ID | CHEMBL4173521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPJGFFHOIFJUQA-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
321.7
MW (Da)
4.48
ALogP
5
HBA
0
HBD
65.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.41 | 5.2475 | 3900.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly... | 29649741 |
| Bromodomain-containing protein 4 | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly... | 29649741 |
| Bromodomain-containing protein 4 | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly... | 29649741 |
| Bromodomain-containing protein 4 | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly... | 29649741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29649741 | 10.1016/j.ejmech.2018.04.006 | Bromodomain-containing protein 4 | 8 |
Data from ChEMBL 36 via Core Engine