Compound Detail
CHEMBL2137576
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CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL2137576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOVYINBVTXESEY-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.0
MW (Da)
1.96
ALogP
6
HBA
2
HBD
129.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 3 subunit alpha CHEMBL5163 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 3 subunit alpha | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human Nav1.3 expressed in CHO cells under inactivated state by aut... | 37329714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37329714 | 10.1016/j.ejmech.2023.115530 | Sodium channel protein type 3 subunit alpha | 2 |
| 37329714 | 10.1016/j.ejmech.2023.115530 | Sodium channel protein type 5 subunit alpha | 2 |
| 37329714 | 10.1016/j.ejmech.2023.115530 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine