Compound Detail
CHEMBL4593553
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Basic Information
| ChEMBL ID | CHEMBL4593553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSMYFSPOTCDHHJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
2.06
ALogP
9
HBA
0
HBD
88.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of recombinant full length human N-terminal His6-tagged BRD4 (2 to 13... | 30529546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30529546 | 10.1016/j.ejmech.2018.11.018 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine