Compound Detail
CHEMBL3805973
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O=c1[nH]c2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3805973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQFICXZTKHSHRX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
535.9
MW (Da)
4.90
ALogP
7
HBA
3
HBD
129.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.77 | 8.77 | 1.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1.7 | nM | 8.77 | Inhibition of full length human Nav1.7 channel expressed in HEK cells co-express... | 26985315 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1.7 | nM | 8.77 | Electrophysiological Assay (In vitro Assay): Patch voltage clamp electrophysiolo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26985315 | 10.1021/acsmedchemlett.5b00447 | Sodium channel protein type 9 subunit alpha | 1 |
| 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