Compound Detail
CHEMBL166699
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Basic Information
| ChEMBL ID | CHEMBL166699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGHMHOHMGCTKDT-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.33
ALogP
6
HBA
2
HBD
117.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 8.62 | 7.735 | 2.4 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 8.57 | 7.305 | 2.7 | 2 |
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 2.4 | nM | 8.62 | Inhibitory activity against leukotriene B4 receptor | - |
| Homo sapiens | IC50 | = | 2.7 | nM | 8.57 | Compound was tested for inhibitory activity against leukotriene B4 induced neutr... | - |
| Leukotriene B4 receptor 1 | IC50 | = | 140.0 | nM | 6.85 | Binding affinity for Leukotriene B4 (LTB4) receptor | 7699700 |
| Leukotriene B4 receptor | IC50 | = | 350.0 | nM | 6.46 | Inhibition of Leukotriene B4 (LTB4) induced chemotaxis. | 7699700 |
| Homo sapiens | IC50 | = | 920.0 | nM | 6.04 | 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 |
| - | 10.1016/S0960-894X(01)80853-2 | Leukotriene B4 receptor 1 | 1 |
| - | 10.1016/S0960-894X(01)80853-2 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine