Compound Detail
CHEMBL422420
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Basic Information
| ChEMBL ID | CHEMBL422420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOPSSWGWLCLPPF-RUDMXATFSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
5.61
ALogP
5
HBA
2
HBD
102.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.43
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | Ki | 8.43 | 8.41 | 3.7 | 3 |
| Leukotriene B4 receptor CHEMBL2095160 | Ki | 8.4 | 8.275 | 4.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | Ki | = | 3.7 | nM | 8.43 | Compound was tested for inhibitory activity against human neutrophil LTB4 recept... | 8709092 |
| Leukotriene B4 receptor 1 | Ki | = | 4.0 | nM | 8.4 | Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement... | 7932560 |
| Leukotriene B4 receptor 1 | Ki | = | 4.0 | nM | 8.4 | Binding affinity against LTB4 receptors in human PMNs using [3H]LTB4 as radiolig... | 8410983 |
| Leukotriene B4 receptor | Ki | = | 4.0 | nM | 8.4 | Antagonist activity against LTB4 receptor (unknown origin) assessed as inhibitio... | 37043995 |
| Leukotriene B4 receptor | Ki | = | 7.0 | nM | 8.15 | Inhibition of leukotriene B4 (LTB4) binding to its receptor on intact human neut... | - |
| Homo sapiens | IC50 | = | 1600.0 | nM | 5.8 | Compound was tested in vitro inhibitory activity against human neutrophil degran... | 8709092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709092 | 10.1021/jm960088k | Cavia porcellus | 2 |
| - | 10.1016/S0960-894X(01)80833-7 | Leukotriene B4 receptor | 2 |
| 8709092 | 10.1021/jm960088k | Leukotriene B4 receptor 1 | 1 |
| 8709092 | 10.1021/jm960088k | Homo sapiens | 1 |
| 7932560 | 10.1021/jm00046a017 | Leukotriene B4 receptor 1 | 1 |
| 8410983 | 10.1021/jm00070a015 | Leukotriene B4 receptor 1 | 1 |
| - | 10.1016/S0960-894X(01)80833-7 | Cavia porcellus | 1 |
| 37043995 | 10.1016/j.ejmech.2023.115332 | Leukotriene B4 receptor | 1 |
Data from ChEMBL 36 via Core Engine