Compound Detail
CHEMBL4069801
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Basic Information
| ChEMBL ID | CHEMBL4069801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJIHSPMTVBOMNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.9
MW (Da)
3.47
ALogP
6
HBA
2
HBD
80.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 6.03 | 6.03 | 931.0 | 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 | = | 931.0 | nM | 6.03 | 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