Compound Detail
CHEMBL3654182
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CC1(C)[C@H]2CC[C@H](COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)[C@@H]1C2
Basic Information
| ChEMBL ID | CHEMBL3654182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFDGMDBCUUBXKJ-MDZLAQPJSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.9
MW (Da)
3.62
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.42 | 8.2533 | 3.8 | 3 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.97 | 5.97 | 1068.0 | 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 | = | 3.8 | nM | 8.42 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 3.8 | nM | 8.42 | Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 12.0 | nM | 7.92 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 1070.0 | nM | 5.97 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 1068.0 | nM | 5.97 | Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... | - |
Data from ChEMBL 36 via Core Engine