Compound Detail
CHEMBL338867
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
CC1(C)OC(=O)c2cc3cc(OCc4cccc(C5(O)CCOCC5)c4)ccc3c(-c3ccccc3)c21
Basic Information
| ChEMBL ID | CHEMBL338867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLDMHDRHKNCVBJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
6.49
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 80.0 | nM | 7.1 | Test inhibition of LTB4 production in human peripheral blood polymorphonuclear l... | 8831761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831761 | 10.1021/jm960301c | Homo sapiens | 2 |
| 8831761 | 10.1021/jm960301c | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine