Compound Detail
CHEMBL3805347
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Basic Information
| ChEMBL ID | CHEMBL3805347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXIKMOBJZKGNHO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
532.0
MW (Da)
5.67
ALogP
8
HBA
1
HBD
107.0
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.44 | 8.44 | 3.6 | 2 |
| Sodium channel protein type 9 subunit alpha CHEMBL3312 | IC50 | 6.13 | 6.13 | 740.0 | 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 | = | 3.6 | nM | 8.44 | Inhibition of full length human Nav1.7 channel expressed in HEK cells co-express... | 26985315 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 3.6 | nM | 8.44 | Electrophysiological Assay (In vitro Assay): Patch voltage clamp electrophysiolo... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 740.0 | nM | 6.13 | Inhibition of rat Nav1.7 channel by automated voltage clamp analysis | 26985315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26985315 | 10.1021/acsmedchemlett.5b00447 | Sodium channel protein type 9 subunit alpha | 2 |
| 26985315 | 10.1021/acsmedchemlett.5b00447 | Unchecked | 2 |
| 26985315 | 10.1021/acsmedchemlett.5b00447 | Sodium channel protein type 5 subunit alpha | 1 |
| 26985315 | 10.1021/acsmedchemlett.5b00447 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine