Compound Detail
CHEMBL137104
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Basic Information
| ChEMBL ID | CHEMBL137104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGOACMYASLFVJL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
5.66
ALogP
4
HBA
2
HBD
85.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 8.18 | 8.0067 | 6.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 6.6 | nM | 8.18 | Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the guinea pig sple... | 1333012 |
| Leukotriene B4 receptor 1 | IC50 | = | 9.5 | nM | 8.02 | Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorp... | 1333012 |
| Leukotriene B4 receptor 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocyte... | 1333012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1333012 | 10.1021/jm00101a008 | Leukotriene B4 receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine