Compound Detail
CHEMBL2321912
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cccc(CN3CCC3)c2)cc1F
Basic Information
| ChEMBL ID | CHEMBL2321912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNOWJORROBGRSP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
565.5
MW (Da)
6.45
ALogP
7
HBA
1
HBD
84.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.11 | 8.09 | 7.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 7.8 | nM | 8.11 | Inhibition of NaV1.7 ion channel (unknown origin) | 23177785 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 8.6 | nM | 8.07 | Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress elect... | 29029933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23177785 | 10.1016/j.bmcl.2012.10.102 | Sodium channel protein type 9 subunit alpha | 1 |
| 29029933 | 10.1016/j.bmcl.2017.09.056 | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine