Compound Detail
CHEMBL90788
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Basic Information
| ChEMBL ID | CHEMBL90788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVOIIUGMYVACGS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
4.74
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 7.4 | 7.4 | 39.6 | 1 |
| 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 | IC50 | = | 39.6 | nM | 7.4 | Compound was tested for inhibitory activity against human neutrophil LTB4 recept... | 8709092 |
| Homo sapiens | IC50 | = | 1600.0 | nM | 5.8 | Compound was tested in vitro inhibitory activity against human neutrophil CD11b/... | 8709092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709092 | 10.1021/jm960088k | Cavia porcellus | 2 |
| 8709092 | 10.1021/jm960088k | Leukotriene B4 receptor 1 | 1 |
| 8709092 | 10.1021/jm960088k | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine