Compound Detail
CHEMBL2048857
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Basic Information
| ChEMBL ID | CHEMBL2048857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKBWHAQEYOVDOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.6
MW (Da)
4.98
ALogP
6
HBA
0
HBD
59.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 12 member 5 CHEMBL1615384 | IC50 | 5.98 | 5.98 | 1057.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 12 member 5 | IC50 | = | 1057.0 | nM | 5.98 | Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease... | 22727639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727639 | 10.1016/j.bmcl.2012.05.126 | Solute carrier family 12 member 5 | 2 |
Data from ChEMBL 36 via Core Engine