Compound Detail
CHEMBL4101414
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
Basic Information
| ChEMBL ID | CHEMBL4101414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZULMCMVHNUHKQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.9
MW (Da)
3.18
ALogP
6
HBA
2
HBD
80.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 6.73 | 6.115 | 188.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.72 | 6.72 | 189.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha | IC50 | = | 188.0 | nM | 6.73 | Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -... | 28818462 |
| Unchecked | IC50 | = | 189.0 | nM | 6.72 | Ligand Binding Assay (LBA): hNaV1.7 binding affinities were determined with a fi... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -... | 28818462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28818462 | 10.1016/j.bmc.2017.08.012 | Sodium channel protein type 5 subunit alpha | 2 |
| 28818462 | 10.1016/j.bmc.2017.08.012 | No relevant target | 2 |
| 28818462 | 10.1016/j.bmc.2017.08.012 | Cytochrome P450 2C9 | 1 |
| 28818462 | 10.1016/j.bmc.2017.08.012 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine