Compound Detail
CHEMBL4207534
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N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(CNCCC2CCNCC2)c1
Basic Information
| ChEMBL ID | CHEMBL4207534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJCDRKHKDVFRBG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
609.2
MW (Da)
5.80
ALogP
9
HBA
3
HBD
129.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 9.15 | 9.15 | 0.7 | 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 | = | 0.7 | nM | 9.15 | 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 | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine