Compound Detail
CHEMBL5266847
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Cc1nc2cc(-c3cc(C(=O)N4CCN(C)CC4)ccc3Oc3ccc(F)cc3F)ccc2[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL5266847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKWLBLIFRXXPEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
4.36
ALogP
5
HBA
1
HBD
78.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.88 | 5.88 | 1309.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1309.0 | nM | 5.88 | Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assay | 36599264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36599264 | 10.1016/j.bmc.2022.117152 | Bromodomain-containing protein 4 | 2 |
Data from ChEMBL 36 via Core Engine