Compound Detail
CHEMBL499968
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Basic Information
| ChEMBL ID | CHEMBL499968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVOUSAVHMDXCKG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
231.0
MW (Da)
2.12
ALogP
3
HBA
2
HBD
61.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 1 CHEMBL2369 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Small conductance calcium-activated potassium channel protein 2 CHEMBL4469 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 1 | EC50 | = | 600.0 | nM | 6.22 | Positive modulation of SK1 in HEK293 cells in presence of Ca2+ by patch-clamp me... | 37068385 |
| Small conductance calcium-activated potassium channel protein 2 | EC50 | = | 800.0 | nM | 6.1 | Positive modulation of SK2 in HEK293 cells in presence of Ca2+ by patch-clamp me... | 37068385 |
| Small conductance calcium-activated potassium channel protein 3 | EC50 | = | 900.0 | nM | 6.05 | Positive modulation of SK3 in HEK293 cells in presence of Ca2+ by patch-clamp me... | 37068385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 18998663 | 10.1021/jm800809f | Small conductance calcium-activated potassium channel protein 3 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 37068385 | 10.1016/j.ejmech.2023.115353 | Small conductance calcium-activated potassium channel protein 1 | 1 |
| 37068385 | 10.1016/j.ejmech.2023.115353 | Small conductance calcium-activated potassium channel protein 2 | 1 |
| 37068385 | 10.1016/j.ejmech.2023.115353 | Small conductance calcium-activated potassium channel protein 3 | 1 |
Data from ChEMBL 36 via Core Engine