Compound Detail
CHEMBL6021138
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Cn1cc(-c2cc(F)c(Nc3nn([C@H]4CCOC4)c4c3CN(C(N)=O)CC4)cc2C(F)F)cn1
Basic Information
| ChEMBL ID | CHEMBL6021138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STSVDECZAMJHLX-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
3.50
ALogP
7
HBA
2
HBD
103.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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... | - |
Data from ChEMBL 36 via Core Engine