Compound Detail
CHEMBL241945
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Basic Information
| ChEMBL ID | CHEMBL241945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBUXDOXMHRXSGM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
5.10
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | IC50 | = | 1100.0 | nM | 5.96 | Displacement of [3H]LTB4 from LTB4 receptor in guinea pig spleen membrane | 17448575 |
| NON-PROTEIN TARGET | IC50 | = | 10000.0 | nM | 5.0 | Antileukotrienic activity in rat polymorphonuclear cells assessed as inhibition ... | 17448575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17448575 | 10.1016/j.ejmech.2007.01.014 | Mus musculus | 5 |
| 17448575 | 10.1016/j.ejmech.2007.01.014 | No relevant target | 2 |
| 17448575 | 10.1016/j.ejmech.2007.01.014 | NON-PROTEIN TARGET | 1 |
| 17448575 | 10.1016/j.ejmech.2007.01.014 | Leukotriene B4 receptor | 1 |
| 17448575 | 10.1016/j.ejmech.2007.01.014 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine