Compound Detail
CHEMBL5856648
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O=S(=O)(Nc1cscn1)c1cc(Cl)c(N[C@@H]2C[C@H](N3CCC3)c3ccccc32)cc1F
Basic Information
| ChEMBL ID | CHEMBL5856648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFMCWTSZAQYKLM-MJGOQNOKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.0
MW (Da)
5.04
ALogP
6
HBA
2
HBD
74.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.32 | 5.32 | 4770.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 4.55 | 4.55 | 28138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 91.0 | nM | 7.04 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 4770.0 | nM | 5.32 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 28138.0 | nM | 4.55 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
Data from ChEMBL 36 via Core Engine