Compound Detail
CHEMBL121748
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Basic Information
| ChEMBL ID | CHEMBL121748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDDXKXCKJOLHRY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.51
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 7.18 | 7.18 | 65.6 | 1 |
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | IC50 | = | 65.6 | nM | 7.18 | Binding affinity for Leukotriene B4 receptor of guinea pig spleen membranes | 8809163 |
| Leukotriene B4 receptor 1 | IC50 | = | 900.0 | nM | 6.05 | Compound tested for binding affinity against Leukotriene B4 receptor using radio... | 8809163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809163 | 10.1021/jm9506985 | Leukotriene B4 receptor | 1 |
| 8809163 | 10.1021/jm9506985 | Leukotriene B4 receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine