Compound Detail
CHEMBL3657820
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 | CHEMBL3657820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGBCYVXZLVHZHE-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.0
MW (Da)
3.61
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.55 | 7.34 | 28.1 | 3 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 6.11 | 6.11 | 772.0 | 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 | = | 28.1 | nM | 7.55 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 28.1 | nM | 7.55 | Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 120.0 | nM | 6.92 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 772.0 | nM | 6.11 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 772.0 | nM | 6.11 | Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... | - |
Data from ChEMBL 36 via Core Engine