Compound Detail
CHEMBL5809035
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COCCOc1cc(C(F)(F)F)ccc1[C@H]1CCOc2cc(S(=O)(=O)Nc3ccncn3)ccc21
Basic Information
| ChEMBL ID | CHEMBL5809035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBNUIMPNENDUCX-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.5
MW (Da)
4.24
ALogP
7
HBA
1
HBD
99.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
Data from ChEMBL 36 via Core Engine