Compound Detail
CHEMBL4208664
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NCc1cc(-c2cc(-c3cccc(C(F)(F)F)c3)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)ccn1
Basic Information
| ChEMBL ID | CHEMBL4208664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXAKJTDJSYRFIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
636.0
MW (Da)
7.13
ALogP
8
HBA
2
HBD
120.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1.5 | nM | 8.82 | Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress elect... | 29029933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29029933 | 10.1016/j.bmcl.2017.09.056 | No relevant target | 4 |
| 29029933 | 10.1016/j.bmcl.2017.09.056 | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine