Compound Detail
CHEMBL5894630
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C[C@H](c1cc(C(F)F)ccc1F)N1CCC(Oc2ccc(S(=O)(=O)Nc3cscn3)cc2Cl)CC1
Basic Information
| ChEMBL ID | CHEMBL5894630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXVIUAYQALFTDT-CQSZACIVSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
546.0
MW (Da)
6.28
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.36
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.6267 | 1881.0 | 3 |
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.56 | 5.56 | 2782.0 | 2 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.42 | 5.42 | 3795.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1881.0 | nM | 5.73 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 1881.0 | nM | 5.73 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 2782.0 | nM | 5.56 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 2782.0 | nM | 5.56 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 3795.0 | nM | 5.42 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 3795.0 | nM | 5.42 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine