Compound Detail
CHEMBL5086997
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Basic Information
| ChEMBL ID | CHEMBL5086997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWOQPNHOXLUTJZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
4.12
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 2 CHEMBL2547 | EC50 | 7.04 | 6.615 | 91.0 | 2 |
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 2 | EC50 | = | 91.0 | nM | 7.04 | Potentiation of rat KCa2.2a expressed in HEK293 cells assessed as increase in ca... | 34962403 |
| Small conductance calcium-activated potassium channel protein 3 | EC50 | = | 600.0 | nM | 6.22 | Potentiation of human KCa2.3 expressed in HEK293 cells at -90 mV holding potenti... | 34962403 |
| Small conductance calcium-activated potassium channel protein 2 | EC50 | = | 640.0 | nM | 6.19 | Potentiation of rat KCa2.2a expressed in HEK293 cells at -90 mV holding potentia... | 34962403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34962403 | 10.1021/acs.jmedchem.1c01473 | Small conductance calcium-activated potassium channel protein 2 | 3 |
| 34962403 | 10.1021/acs.jmedchem.1c01473 | Calcium-activated potassium channel subunit alpha-1 | 1 |
| 34962403 | 10.1021/acs.jmedchem.1c01473 | Small conductance calcium-activated potassium channel protein 1 | 1 |
| 34962403 | 10.1021/acs.jmedchem.1c01473 | Intermediate conductance calcium-activated potassium channel protein 4 | 1 |
| 34962403 | 10.1021/acs.jmedchem.1c01473 | Unchecked | 1 |
| 34962403 | 10.1021/acs.jmedchem.1c01473 | Small conductance calcium-activated potassium channel protein 3 | 1 |
Data from ChEMBL 36 via Core Engine