Compound Detail
CHEMBL333493
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CN(CCc1ccccc1)C(=O)Cc1cc(/C=C/C=C/C(=O)O)cc2c(OCc3ccccc3)cccc12
Basic Information
| ChEMBL ID | CHEMBL333493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDSYHEFKGLTDRM-DUAZVESASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
6.32
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 9.0 | 8.55 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | IC50 | = | 1.0 | nM | 9.0 | LTB4 receptor binding from radioligand binding assay using guinea pig spleen cel... | 8809164 |
| Leukotriene B4 receptor | IC50 | = | 8.0 | nM | 8.1 | 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