Compound Detail
CHEMBL5779072
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COc1ccc(CN2CCC[C@@H](Oc3cc(F)c(C(=O)NS(C)(=O)=O)cc3C3CC3)C2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL5779072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHSOPLGHCCWMQK-HXUWFJFHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
3.75
ALogP
6
HBA
1
HBD
84.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.1633 | 5.0 | 3 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.89 | 7.89 | 12.8 | 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 | = | 13.0 | nM | 7.89 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 12.8 | nM | 7.89 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
Data from ChEMBL 36 via Core Engine