Compound Detail
CHEMBL5865058
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C[C@H](c1cc(C2CC2)ccc1F)N1CCC(Oc2ccc(S(=O)(=O)Nc3cscn3)cc2Cl)CC1
Basic Information
| ChEMBL ID | CHEMBL5865058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFAIDZXXZFXDLU-MRXNPFEDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
536.1
MW (Da)
6.22
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.37
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.49 | 5.49 | 3236.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.37 | 5.345 | 4251.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 3236.0 | nM | 5.49 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 4251.0 | nM | 5.37 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 4737.0 | nM | 5.32 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine