Compound Detail
CHEMBL4078527
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Basic Information
| ChEMBL ID | CHEMBL4078527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMBMQNQMPWQGIO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.0
MW (Da)
3.97
ALogP
7
HBA
2
HBD
93.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 6.05 | 6.05 | 900.0 | 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 | = | 900.0 | nM | 6.05 | Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as red... | 28234467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28234467 | 10.1021/acs.jmedchem.6b01918 | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine