Compound Detail
CHEMBL4547737
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Basic Information
| ChEMBL ID | CHEMBL4547737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYMGGEYPNDYSSU-HFJPGXAFSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
-2.96
ALogP
6
HBA
7
HBD
153.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Sodium channel protein type 7 subunit alpha CHEMBL3585 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL3509 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.34 | 5.34 | 4566.0 | 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 | = | 18.0 | nM | 7.75 | Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp e... | 36385936 |
| Sodium channel protein type 7 subunit alpha | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay | 31012583 |
| Sodium channel protein type 4 subunit alpha | IC50 | = | 83.0 | nM | 7.08 | Inhibition of recombinant rat Nav1.4 expressed in CHO cells by whole cell voltag... | 36385936 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of human Nav1.5 expressed in HEK293 cells by electrophysiology assay | 31012583 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 4566.0 | nM | 5.34 | Inhibition of recombinant human Nav1.5 expressed in CHO cells by whole cell volt... | 36385936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 7 subunit alpha | 1 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Sodium channel protein type 5 subunit alpha | 1 |
| 31012583 | 10.1021/acs.jmedchem.8b01906 | Unchecked | 1 |
| 36385936 | 10.1021/acsmedchemlett.2c00378 | Sodium channel protein type 9 subunit alpha | 1 |
| 36385936 | 10.1021/acsmedchemlett.2c00378 | Unchecked | 1 |
| 36385936 | 10.1021/acsmedchemlett.2c00378 | Sodium channel protein type 4 subunit alpha | 1 |
| 36385936 | 10.1021/acsmedchemlett.2c00378 | Sodium channel protein type 5 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine