Compound Detail
CHEMBL38031
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Basic Information
| ChEMBL ID | CHEMBL38031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGMPMLHCCFCLQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
4.01
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha CHEMBL2072 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha | Ki | = | 200.0 | nM | 6.7 | Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells | 14998340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14998340 | 10.1021/jm030498q | Sodium channel protein type 4 subunit alpha | 3 |
Data from ChEMBL 36 via Core Engine