Compound Detail
CHEMBL168658
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Basic Information
| ChEMBL ID | CHEMBL168658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWDDHNWBAVHITQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
5.88
ALogP
7
HBA
1
HBD
100.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 100.0 | nM | 7.0 | Binding affinity for Leukotriene B4 (LTB4) receptor | 7699700 |
| Homo sapiens | IC50 | = | 230.0 | nM | 6.64 | Tested for the ability to inhibit Leukotriene B4 (LTB4) induced degranulation. | 7699700 |
| Leukotriene B4 receptor | IC50 | = | 430.0 | nM | 6.37 | Inhibition of Leukotriene B4 (LTB4) induced chemotaxis. | 7699700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699700 | 10.1021/jm00006a002 | Leukotriene B4 receptor 1 | 1 |
| 7699700 | 10.1021/jm00006a002 | Leukotriene B4 receptor | 1 |
| 7699700 | 10.1021/jm00006a002 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine