Compound Detail
CHEMBL3662219
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CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CCC(C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL3662219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWHFEIOJQPVXNQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
4.52
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.52 | 7.705 | 3.0 | 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 | = | 3.0 | nM | 8.52 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 130.0 | nM | 6.89 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
Data from ChEMBL 36 via Core Engine