Compound Detail
CHEMBL2164061
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Basic Information
| ChEMBL ID | CHEMBL2164061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEGMZSGOJYGENU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.44
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 2 CHEMBL2476 | IC50 | 4.69 | 4.69 | 20230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 2 | IC50 | = | 20230.0 | nM | 4.69 | Antagonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by auto... | 22793372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22793372 | 10.1021/jm300700v | Potassium voltage-gated channel subfamily KQT member 2 | 1 |
Data from ChEMBL 36 via Core Engine