Compound Detail
CHEMBL332663
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 | CHEMBL332663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSGQQSMOTPMSLA-KHPPLWFESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
4.72
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Cyclooxygenase CHEMBL2096674 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 160.0 | nM | 6.8 | Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic ... | 2104936 |
| Cyclooxygenase | IC50 | = | 13000.0 | nM | 4.89 | In vitro inhibition of Prostaglandin G/H synthase in BSV cell line. | 2104936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2104936 | 10.1021/jm00163a058 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2104936 | 10.1021/jm00163a058 | Cyclooxygenase | 1 |
| 2104936 | 10.1021/jm00163a058 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine