Compound Detail
CHEMBL520942
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Basic Information
| ChEMBL ID | CHEMBL520942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSVCSILLBNBXNX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
4.23
ALogP
5
HBA
1
HBD
54.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL3738 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 35.0 | nM | 7.46 | Inhibition of human recombinant leukotriene A4 hydrolase by enzyme immunoassay | 18588282 |
| Leukotriene A-4 hydrolase | IC50 | = | 230.0 | nM | 6.64 | Inhibition of leukotriene A4 hydrolase activity in CD1 mouse whole blood assesse... | 18588282 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 9000.0 | nM | 5.05 | Displacement of [3H]astemizole from human ERG potassium channel expressed in HEK... | 18588282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18588282 | 10.1021/jm701575k | Leukotriene A-4 hydrolase | 2 |
| 18588282 | 10.1021/jm701575k | Mus musculus | 2 |
| 18588282 | 10.1021/jm701575k | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine