Compound Detail
CHEMBL226259
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Basic Information
| ChEMBL ID | CHEMBL226259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRGLGSFVRADZNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.93
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.73 | 4.73 | 18610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 18610.0 | nM | 4.73 | Inhibition of recombinant human His-tagged BRD4 bromodomain 1/2 (2 to 1362 resid... | 31276895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17158051 | 10.1016/j.bmc.2006.11.026 | Human immunodeficiency virus type 1 integrase | 2 |
| 31276895 | 10.1016/j.ejmech.2019.06.067 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine