Compound Detail
CHEMBL349370
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
COC1(c2cc(F)cc(OCc3cc(-c4ccc(Cl)cc4)n(S(N)(=O)=O)n3)c2)CCOCC1
Basic Information
| ChEMBL ID | CHEMBL349370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYRUXQCDQBMXFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.0
MW (Da)
3.63
ALogP
7
HBA
1
HBD
105.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of 5-lipoxygenase activity of compound evaluated as determined by the... | 11859001 |
| Prostaglandin G/H synthase 1 | IC50 | = | 38000.0 | nM | 4.42 | The compound was evaluated for prostaglandin E2 inhibition using recombinant Pro... | 11859001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11859001 | 10.1016/s0960-894x(02)00013-6 | Prostaglandin G/H synthase 1 | 1 |
| 11859001 | 10.1016/s0960-894x(02)00013-6 | Prostaglandin G/H synthase 2 | 1 |
| 11859001 | 10.1016/s0960-894x(02)00013-6 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine