Compound Detail
CHEMBL6030794
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O=S(=O)(Nc1ccncn1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1O[C@H]1CCOC1
Basic Information
| ChEMBL ID | CHEMBL6030794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZWZWVBDNBJTRA-WMZOPIPTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.5
MW (Da)
4.38
ALogP
7
HBA
1
HBD
99.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
Data from ChEMBL 36 via Core Engine