Compound Detail
CHEMBL6029578
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O=S(=O)(Nc1cscn1)c1cc(Cl)c(O[C@H]2CCN(Cc3cccc(CC(F)F)c3)C[C@H]2F)cc1F
Basic Information
| ChEMBL ID | CHEMBL6029578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQMIIIJQKDNTRM-MOPGFXCFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
564.0
MW (Da)
5.54
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.35
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.2 | 5779.0 | 2 |
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.21 | 5.21 | 6134.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5779.0 | nM | 5.24 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 6134.0 | nM | 5.21 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 6880.0 | nM | 5.16 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine