Compound Detail
CHEMBL5948490
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CNC(=O)N1CCc2c(c(Nc3cc(C(F)F)c(-c4cnn(C)c4)cc3F)nn2[C@H]2CCOC2)C1
Basic Information
| ChEMBL ID | CHEMBL5948490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDLRYVRGQYPUTK-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
3.76
ALogP
7
HBA
2
HBD
89.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.84 | 4.84 | 14470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 3.0 | nM | 8.52 | TR-FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| Bromodomain-containing protein 4 | IC50 | = | 14470.0 | nM | 4.84 | AlphaLisa Binding Assay: His/Flag epitope tagged BRD4 BD142-168 was cloned, expr... | - |
Data from ChEMBL 36 via Core Engine