Compound Detail
CHEMBL5885467
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CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3F)nn2[C@H]2CCOC2)C1
Basic Information
| ChEMBL ID | CHEMBL5885467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWUIZHBOWLCTQT-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
4.05
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.63 | 5.63 | 2340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 15.0 | nM | 7.82 | TR-FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| Bromodomain-containing protein 4 | IC50 | = | 2340.0 | nM | 5.63 | AlphaLisa Binding Assay: His/Flag epitope tagged BRD4 BD142-168 was cloned, expr... | - |
Data from ChEMBL 36 via Core Engine