Compound Detail
CHEMBL328492
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CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2
Basic Information
| ChEMBL ID | CHEMBL328492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWYUQSGYKDEAMJ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
539.7
MW (Da)
5.37
ALogP
6
HBA
2
HBD
103.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 8.82 | 8.39 | 1.5 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 7.66 | 7.54 | 21.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 1.5 | nM | 8.82 | Compound was tested for inhibitory activity against human neutrophil LTB4 recept... | 8709092 |
| Leukotriene B4 receptor 1 | IC50 | = | 10.9 | nM | 7.96 | Inhibitory activity against leukotriene B4 receptor | - |
| Homo sapiens | IC50 | = | 21.9 | nM | 7.66 | Compound was tested for inhibitory activity against leukotriene B4 induced neutr... | - |
| Homo sapiens | IC50 | = | 29.0 | nM | 7.54 | Compound was tested in vitro for inhibitory activity in LTB4 induced neutrophil ... | 8709092 |
| Homo sapiens | IC50 | = | 38.0 | nM | 7.42 | Compound was tested in vitro for inhibitory activity in LTB4 induced chemotaxis | 8709092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709092 | 10.1021/jm960088k | Homo sapiens | 2 |
| 8709092 | 10.1021/jm960088k | Leukotriene B4 receptor 1 | 1 |
| 8709092 | 10.1021/jm960088k | Cavia porcellus | 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