Compound Detail
CHEMBL5179959
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Cc1cc(-c2cc3c(=O)n(C)cc(-c4cc(C(C)(C)O)ccc4Oc4c(C)cc(F)cc4C)c3o2)cc(C)c1OCCCO
Basic Information
| ChEMBL ID | CHEMBL5179959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEAISNICLHBULL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
599.7
MW (Da)
7.62
ALogP
7
HBA
2
HBD
94.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 8.85 | 8.025 | 1.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of C-terminal His6-tagged BRD4 BD2 (unknown origin) using H-YSGRGK(Ac... | 35333526 |
| Bromodomain-containing protein 4 | IC50 | = | 63.0 | nM | 7.2 | Inhibition of C-terminal His6-tagged BRD4 BD1 (unknown origin) using H-YSGRGK(Ac... | 35333526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Bromodomain-containing protein 4 | 2 |
| 35333526 | 10.1021/acs.jmedchem.2c00100 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine