Compound Detail
CHEMBL287833
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Basic Information
| ChEMBL ID | CHEMBL287833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHUUDVZSPFRUSK-RQZCQDPDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
1
Known Names
Molecular Properties
273.3
MW (Da)
2.62
ALogP
3
HBA
2
HBD
76.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha CHEMBL2072 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Nucleic Acid CHEMBL345 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | Ki | 6.44 | 6.44 | 360.0 | 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 | = | 180.0 | nM | 6.75 | Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells | 14998340 |
| Nucleic Acid | Ki | = | 350.0 | nM | 6.46 | Dissociation constant for binding to inactivated state of rat brain NaIIa (rNav1... | 15293999 |
| Sodium channel protein type 9 subunit alpha | Ki | = | 360.0 | nM | 6.44 | Binding affinity to human Nav1.7 | 20709552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831764 | 10.1021/jm9603025 | Rattus norvegicus | 9 |
| 8831764 | 10.1021/jm9603025 | Mus musculus | 5 |
| 14998340 | 10.1021/jm030498q | Sodium channel protein type 4 subunit alpha | 3 |
| 15293999 | 10.1021/jm040048d | Nucleic Acid | 2 |
| 15293999 | 10.1021/jm040048d | Rattus norvegicus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 8831764 | 10.1021/jm9603025 | No relevant target | 1 |
| 15293999 | 10.1021/jm040048d | Unchecked | 1 |
| 20709552 | 10.1016/j.bmcl.2010.07.064 | Sodium channel protein type 9 subunit alpha | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine