Compound Detail
CHEMBL5994244
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CN(C1CNC1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL5994244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGHBEGBKLBMZDQ-OWSXEPHWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
613.1
MW (Da)
5.11
ALogP
7
HBA
3
HBD
99.2
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 9.85 | 9.675 | 0.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 9.41 | 9.295 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 0.141 | nM | 9.85 | Electrophysiological Assay (EP) (In Vitro Assay): The following voltage clamp el... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 0.317 | nM | 9.5 | Electrophysiological Assay (EP) (In Vitro Assay): The following voltage clamp el... | - |
| Unchecked | IC50 | = | 0.39 | nM | 9.41 | Radioligand Binding Assay: Saturation experiments. A competitive NaV1.7 inhibito... | - |
| Unchecked | IC50 | = | 0.657 | nM | 9.18 | Radioligand Binding Assay: Saturation experiments. A competitive NaV1.7 inhibito... | - |
Data from ChEMBL 36 via Core Engine