Compound Detail
CHEMBL6057917
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O=S(=O)(Nc1cccnn1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1CCC(F)F
Basic Information
| ChEMBL ID | CHEMBL6057917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNHZBRMVSAIOCC-GOSISDBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
5.41
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.43
QED
2
Ro5 Violations
7
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 |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 7.45 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
| Unchecked | IC50 | = | 635.0 | nM | 6.2 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
Data from ChEMBL 36 via Core Engine