Compound Detail
CHEMBL5800044
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Cn1cc(-c2cc3c(cc2C(F)F)N(c2cc(N4CCCCC4)c4c(c2)n(C)c(=O)n4C)CCC3)cn1
Basic Information
| ChEMBL ID | CHEMBL5800044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRCVWLBTABZKKI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
5.29
ALogP
7
HBA
0
HBD
51.2
PSA (Ų)
0.38
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 7.58 | 7.58 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 26.0 | nM | 7.58 | TR FRET Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and pu... | - |
| CREB-binding protein | IC50 | = | 26.0 | nM | 7.58 | Binding Assay: His/Flag epitope tagged CBP was cloned, expressed, and purified t... | - |
Data from ChEMBL 36 via Core Engine