Compound Detail
CHEMBL5853482
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CCOc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cn1
Basic Information
| ChEMBL ID | CHEMBL5853482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCTZADLXNTVPRR-OAQYLSRUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
5.67
ALogP
7
HBA
1
HBD
103.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.0 | 7.015 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
| Unchecked | IC50 | = | 932.0 | nM | 6.03 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
Data from ChEMBL 36 via Core Engine