Compound Detail
CHEMBL406006
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Basic Information
| ChEMBL ID | CHEMBL406006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTHFHADQTUOWAA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
3.65
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.56
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Cysteinyl leukotriene receptor CHEMBL2094254 | IC50 | 6.56 | 6.56 | 275.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 170.0 | nM | 6.77 | Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung ... | 2157009 |
| Cysteinyl leukotriene receptor | IC50 | = | 275.0 | nM | 6.56 | Inhibition of the spasmogenic activity of LTD4 in guinea pig parenchymal strips. | 2157009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2157009 | 10.1021/jm00166a016 | Cysteinyl leukotriene receptor 1 | 1 |
| 2157009 | 10.1021/jm00166a016 | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine