Compound Detail
CHEMBL169722
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Basic Information
| ChEMBL ID | CHEMBL169722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUGSQEGOAXWGCW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
6.64
ALogP
8
HBA
2
HBD
87.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | IC50 | = | 520.0 | nM | 6.28 | Inhibition of Leukotriene B4 (LTB4) induced chemotaxis. | 7699700 |
| Leukotriene B4 receptor 1 | IC50 | = | 890.0 | nM | 6.05 | Binding affinity for Leukotriene B4 (LTB4) receptor | 7699700 |
| Homo sapiens | IC50 | = | 1200.0 | nM | 5.92 | Tested for the ability to inhibit Leukotriene B4 (LTB4) induced degranulation. | 7699700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699700 | 10.1021/jm00006a002 | Leukotriene B4 receptor 1 | 1 |
| 7699700 | 10.1021/jm00006a002 | Leukotriene B4 receptor | 1 |
| 7699700 | 10.1021/jm00006a002 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine