Compound Detail
CHEMBL5960518
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CNC(=O)c1cn(C)c2c(C3CCOCC3)cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12
Basic Information
| ChEMBL ID | CHEMBL5960518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTKCLZIKOCSTIT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
5.85
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 7.96 | 7.96 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 11.0 | nM | 7.96 | TR FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| CREB-binding protein | IC50 | = | 11.0 | nM | 7.96 | Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and purified t... | - |
Data from ChEMBL 36 via Core Engine