Compound Detail
CHEMBL5289676
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Basic Information
| ChEMBL ID | CHEMBL5289676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANLDPIQLMLMNRA-CYBMUJFWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
462.0
MW (Da)
3.27
ALogP
7
HBA
4
HBD
95.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.53 | 6.53 | 295.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.05 | 5.05 | 9000.0 | 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 | = | 66.0 | nM | 7.18 | Inhibition of human Nav1.7 at voltage yielding 20% channel inactivation by manua... | 36092147 |
| Unchecked | IC50 | = | 295.0 | nM | 6.53 | Inhibition of rhesus monkey Nav1.7 at voltage yielding 20% channel inactivation ... | 36092147 |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human Nav1.1 at voltage yielding 20% channel inactivation by autom... | 36092147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36092147 | 10.1039/d2md00081d | Sodium channel protein type 1 subunit alpha | 1 |
| 36092147 | 10.1039/d2md00081d | Sodium channel protein type 5 subunit alpha | 1 |
| 36092147 | 10.1039/d2md00081d | Sodium channel protein type 9 subunit alpha | 1 |
| 36092147 | 10.1039/d2md00081d | Unchecked | 1 |
| 36092147 | 10.1039/d2md00081d | ADMET | 1 |
Data from ChEMBL 36 via Core Engine