Compound Detail
CHEMBL78859
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CCCc1c(OCCCOc2cc(O)c(C(=O)/C=C/N(C)C)cc2CC)ccc2c1OC(C(=O)O)CC2
Basic Information
| ChEMBL ID | CHEMBL78859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXHVFWDAHBQKCC-BUHFOSPRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.79
ALogP
7
HBA
2
HBD
105.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 6.5 | 6.5 | 319.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 319.0 | nM | 6.5 | Inhibition of [3H]Leukotriene B4 binding to human PMN | 8057289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057289 | 10.1021/jm00041a021 | Leukotriene B4 receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine