Compound Detail
CHEMBL3341984
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Basic Information
| ChEMBL ID | CHEMBL3341984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTFVFAHJHJQWBC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.9
MW (Da)
4.01
ALogP
6
HBA
1
HBD
97.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.68 | 8.5267 | 2.1 | 3 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.92 | 1200.0 | 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 | = | 2.1 | nM | 8.68 | Inhibition of Nav1.7 (unknown origin) by PatchXpress method | 25060923 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 2.1 | nM | 8.68 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 6.0 | nM | 8.22 | Binding Assay: Preparation of membranes containing recombinantly expressed sodiu... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Nav1.5 (unknown origin) by PatchXpress method | 25060923 |
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25060923 | 10.1016/j.bmcl.2014.06.038 | Sodium channel protein type 9 subunit alpha | 1 |
| 25060923 | 10.1016/j.bmcl.2014.06.038 | Sodium channel protein type 5 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine