Compound Detail
CHEMBL288758
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Basic Information
| ChEMBL ID | CHEMBL288758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEMBIACANGICCA-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
6.18
ALogP
5
HBA
2
HBD
114.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 7.37 | 6.83 | 43.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 6.47 | 5.905 | 342.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of specific binding of LTB4 ( 0.1 nM) to receptors on intact human ne... | 8389876 |
| Homo sapiens | IC50 | = | 342.0 | nM | 6.47 | Inhibition of luminol-dependent chemiluminescence induced by stimulating the neu... | 8389876 |
| Leukotriene B4 receptor 1 | IC50 | = | 513.0 | nM | 6.29 | The antagonist activity measured as inhibition of LTB4 response in aggregation o... | 8389876 |
| Homo sapiens | IC50 | = | 734.0 | nM | 6.13 | Inhibition of luminol-dependent chemiluminescence induced by stimulating the neu... | 8389876 |
| Homo sapiens | IC50 | = | 1214.0 | nM | 5.92 | The antagonist activity measured as blockade of the FMLP reaction in neutrophils | 8389876 |
| Homo sapiens | IC50 | = | 7902.0 | nM | 5.1 | Inhibition of LTB-4 induced chemotaxis of human neutrophils | 8389876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8389876 | 10.1021/jm00064a006 | Homo sapiens | 4 |
| 8389876 | 10.1021/jm00064a006 | Leukotriene B4 receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine