Compound Detail
CHEMBL131135
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
COC1CC(O)(c2cccc(COc3ccc4c(-c5ccccc5)c5c(cc4c3)C(=O)OC5)c2)CCO1
Basic Information
| ChEMBL ID | CHEMBL131135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTDPMILBUZIMNP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
5.73
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.7 | 7.81 | 2.0 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 2.0 | nM | 8.7 | Test inhibition of LTB4 production in human peripheral blood polymorphonuclear l... | 8831761 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 23.0 | nM | 7.64 | Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxyge... | 8831761 |
| Homo sapiens | IC50 | = | 120.0 | nM | 6.92 | Compound was tested for the inhibition of LTB4 production in human whole blood (... | 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