Compound Detail
CHEMBL6030143
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O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cccc(Cl)c3)C2)cc1F
Basic Information
| ChEMBL ID | CHEMBL6030143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALEKFWIWCIMWKG-LJQANCHMSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.0
MW (Da)
4.62
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 7.8025 | 3.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 0.9 | nM | 9.05 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 3.6 | nM | 8.44 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 33.1 | nM | 7.48 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
| Unchecked | IC50 | = | 169.0 | nM | 6.77 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
Data from ChEMBL 36 via Core Engine