Compound Detail
CHEMBL124717
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Basic Information
| ChEMBL ID | CHEMBL124717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INYZHNXCHJHYNF-ZHACJKMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.03
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | IC50 | = | 5.3 | nM | 8.28 | Binding affinity for Leukotriene B4 receptor of guinea pig spleen membranes | 8809163 |
| Leukotriene B4 receptor 1 | IC50 | = | 50.0 | nM | 7.3 | 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