Compound Detail
CHEMBL4074392
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Basic Information
| ChEMBL ID | CHEMBL4074392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMTIXSIYMVUSCD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
462.0
MW (Da)
4.08
ALogP
7
HBA
2
HBD
89.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 6.79 | 6.0 | 162.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.78 | 4.78 | 16500.0 | 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 | = | 162.0 | nM | 6.79 | Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -... | 28818462 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -... | 28818462 |
| Cytochrome P450 3A4 | IC50 | = | 16500.0 | nM | 4.78 | Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect ... | 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