Compound Detail
CHEMBL2070977
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3nccc4ccccc34)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL2070977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTOCWVFCKNJPJO-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
4.55
ALogP
7
HBA
1
HBD
101.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 1 CHEMBL1866 | EC50 | 5.1 | 5.1 | 7970.0 | 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 | = | 7970.0 | nM | 5.1 | 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