Compound Detail
CHEMBL127818
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL127818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFJFLHCAYDTCSF-RELWKKBWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
5.41
ALogP
4
HBA
1
HBD
71.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 8.63 | 8.12 | 2.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | IC50 | = | 2.33 | nM | 8.63 | LTB4 receptor binding from radioligand binding assay using guinea pig spleen cel... | 8809164 |
| Leukotriene B4 receptor | IC50 | = | 24.5 | nM | 7.61 | LTB4 receptor binding from radioligand binding assay using human intact neutroph... | 8809164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809164 | 10.1021/jm950699x | Leukotriene B4 receptor | 2 |
Data from ChEMBL 36 via Core Engine