Compound Detail
CHEMBL5916525
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Cc1cc(C)cc(CN2CCC(Oc3ccc(S(=O)(=O)Nc4ncns4)cc3Cl)C(C)(C)C2)c1
Basic Information
| ChEMBL ID | CHEMBL5916525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YURSSLFZRLGKRQ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.1
MW (Da)
5.29
ALogP
7
HBA
1
HBD
84.4
PSA (Ų)
0.46
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.21 | 5.0333 | 6169.0 | 3 |
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.18 | 5.18 | 6595.0 | 2 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 4.68 | 4.68 | 20767.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6169.0 | nM | 5.21 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 6169.0 | nM | 5.21 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 6595.0 | nM | 5.18 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 6595.0 | nM | 5.18 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 20767.0 | nM | 4.68 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 20767.0 | nM | 4.68 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine