Compound Detail
CHEMBL125000
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Basic Information
| ChEMBL ID | CHEMBL125000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUAVVASOIWWPDG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
4.25
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 1 CHEMBL5135 | IC50 | 7.75 | 7.695 | 18.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 1 | IC50 | = | 18.0 | nM | 7.75 | Molar concentration required to inhibit 50% of the activating delayed-rectifier ... | 11689063 |
| Potassium voltage-gated channel subfamily KQT member 1 | IC50 | = | 23.0 | nM | 7.64 | Molar concentration required to inhibit 50% of the activating delayed-rectifier ... | 11689063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689063 | 10.1021/jm015505u | Potassium voltage-gated channel subfamily KQT member 1 | 2 |
Data from ChEMBL 36 via Core Engine