Compound Detail
CHEMBL4096534
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)C1Cc2c(O)c(C(CC(C)C)c3c(O)c4c(c(C(C)=O)c3O)OC(C(=C)C)C4)c(O)c(C(C)=O)c2O1
Basic Information
| ChEMBL ID | CHEMBL4096534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAOJHQIMOPCHII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
5.85
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid ... | 28240894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28240894 | 10.1021/acs.jnatprod.6b01008 | Polyunsaturated fatty acid 5-lipoxygenase | 3 |
| 28240894 | 10.1021/acs.jnatprod.6b01008 | Neutrophil | 1 |
| 28240894 | 10.1021/acs.jnatprod.6b01008 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine