Compound Detail
CHEMBL4644497
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 | CHEMBL4644497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUZRQWYTSWEZCR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
1.97
ALogP
8
HBA
1
HBD
99.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha/beta-1/beta-2 CHEMBL4630765 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Sodium channel protein type 9 subunit alpha/beta-1/beta-2 CHEMBL4630766 | IC50 | 4.45 | 4.45 | 35300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha/beta-1/beta-2 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks hi... | 32392056 |
| Sodium channel protein type 9 subunit alpha/beta-1/beta-2 | IC50 | = | 35300.0 | nM | 4.45 | Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks hi... | 32392056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32392056 | 10.1021/acs.jmedchem.0c00259 | Sodium channel protein type 9 subunit alpha/beta-1/beta-2 | 2 |
| 32392056 | 10.1021/acs.jmedchem.0c00259 | Sodium channel protein type 1 subunit alpha/beta-1/beta-2 | 1 |
| 32392056 | 10.1021/acs.jmedchem.0c00259 | Sodium channel protein type 5 subunit alpha/beta-1/beta-2 | 1 |
Data from ChEMBL 36 via Core Engine