Compound Detail
CHEMBL5884887
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O=S(=O)(Nc1cscn1)c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)c(Cl)c2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5884887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHSALMSCNUITHY-BJWYYQGGSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.5
MW (Da)
5.96
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.40
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.61 | 5.55 | 2484.0 | 3 |
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.48 | 5.48 | 3317.0 | 2 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.43 | 5.43 | 3685.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2484.0 | nM | 5.61 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 2484.0 | nM | 5.61 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 3317.0 | nM | 5.48 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 3317.0 | nM | 5.48 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 3685.0 | nM | 5.43 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 3685.0 | nM | 5.43 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine