Compound Detail
CHEMBL5822353
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O=S(=O)(Nc1cccnn1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1-c1ccc(F)nc1
Basic Information
| ChEMBL ID | CHEMBL5822353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLEKPWJKKKVEPI-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
5.41
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.7 | 7.945 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.2 | nM | 9.7 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
| Unchecked | IC50 | = | 644.0 | nM | 6.19 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
Data from ChEMBL 36 via Core Engine