Compound Detail
CHEMBL2070961
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COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc(OC)c3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL2070961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWCFXTOKWYWHGJ-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
4.01
ALogP
7
HBA
1
HBD
97.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 1 CHEMBL1866 | EC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 1 | EC50 | = | 810.0 | nM | 6.09 | Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-in... | 22910039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22910039 | 10.1016/j.bmcl.2012.07.060 | Potassium voltage-gated channel subfamily KQT member 1 | 2 |
Data from ChEMBL 36 via Core Engine