Compound Detail
CHEMBL1774308
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
Basic Information
| ChEMBL ID | CHEMBL1774308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEEFSAUDUBUYEP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
6.19
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition ... | 21466167 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition ... | 21466167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21466167 | 10.1021/jm101309g | Polyunsaturated fatty acid 5-lipoxygenase | 6 |
| 21466167 | 10.1021/jm101309g | Prostaglandin E synthase | 3 |
Data from ChEMBL 36 via Core Engine