Compound Detail
CHEMBL5763461
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CNC(=O)c1ccc2c(n1)c(N1CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc31)nn2C1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL5763461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLVCOGZGKINOTK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
4.56
ALogP
8
HBA
1
HBD
90.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 2.0 | nM | 8.7 | TR FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| CREB-binding protein | IC50 | = | 2.0 | nM | 8.7 | Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and purified t... | - |
Data from ChEMBL 36 via Core Engine