Compound Detail
CHEMBL4090987
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 | CHEMBL4090987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYBXSAOPBWBEIA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
5.88
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 CHEMBL1628461 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 | IC50 | = | 1360.0 | nM | 5.87 | Antagonist activity at OXE receptor in human neutrophils assessed as inhibition ... | 28943042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28943042 | 10.1016/j.bmcl.2017.08.034 | Oxoeicosanoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine