Compound Detail
CHEMBL126859
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Basic Information
| ChEMBL ID | CHEMBL126859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRXVCASFTGGYKC-WVLIHFOGSA-M |
| Parent Compound | CHEMBL1205645 |
| Active Moiety | CHEMBL1205645 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.3
MW (Da)
5.96
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | IC50 | = | 54.0 | nM | 7.27 | In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes. | 1331447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1331447 | 10.1021/jm00099a011 | Cysteinyl leukotriene receptor | 1 |
| 1331447 | 10.1021/jm00099a011 | Cavia porcellus | 1 |
| 1331447 | 10.1021/jm00099a011 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine