Compound Detail
CHEMBL3657998
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3657998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQJYQECMAVLMJI-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.13
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.22 | 7.975 | 6.0 | 4 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 6.2 | 6.2 | 630.0 | 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 | = | 6.0 | nM | 8.22 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 8.0 | nM | 8.1 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human Nav1.7 alpha subunit expressed in HEK293 cells co-expressing... | 30499663 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 33.0 | nM | 7.48 | Displacement of [3H]GX-545 from human Nav1.7 alpha subunit expressed in HEK293 c... | 30499663 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 630.0 | nM | 6.2 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30499663 | 10.1021/acs.jmedchem.8b01621 | Sodium channel protein type 9 subunit alpha | 2 |
Data from ChEMBL 36 via Core Engine