Compound Detail
CHEMBL5885613
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C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5885613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRCIGHMFXRYAIG-INIZCTEOSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
569.5
MW (Da)
6.08
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.40
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.2775 | 5.0 | 4 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 5.4 | nM | 8.27 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 5.8 | nM | 8.24 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 5.8 | nM | 8.24 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
Data from ChEMBL 36 via Core Engine