Compound Detail
CHEMBL3341987
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Basic Information
| ChEMBL ID | CHEMBL3341987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTIFTJFHUAIOAS-QAPCUYQASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
3.43
ALogP
7
HBA
1
HBD
99.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.59 | 8.59 | 2.6 | 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 | = | 2.6 | nM | 8.59 | Inhibition of human Nav1.7 expressed in HEK293 cells by PatchXpress method | 25060923 |
| Unchecked | IC50 | = | 2.6 | nM | 8.59 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
| Unchecked | IC50 | = | 2.6 | nM | 8.59 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25060923 | 10.1016/j.bmcl.2014.06.038 | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine