Compound Detail
CHEMBL294159
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Basic Information
| ChEMBL ID | CHEMBL294159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHELUJCERLGVBD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
351.8
MW (Da)
5.05
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.71
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 2 |
| Cyclooxygenase CHEMBL2096674 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of 5-lipoxygenase in bovine PMNL cell assay. | 8021931 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of 5-lipoxygenase in bovine polymorphonuclear leucocytes assessed as ... | 19719242 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
| Cyclooxygenase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Prostaglandin G/H synthase in bovine thrombocyte intact cell assay... | 8021931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19719242 | 10.1021/jm900481c | Prostaglandin E synthase | 2 |
| 8021931 | 10.1021/jm00038a021 | Cyclooxygenase | 1 |
| 8021931 | 10.1021/jm00038a021 | Arachidonate 5-lipoxygenase | 1 |
| 19719242 | 10.1021/jm900481c | Unchecked | 1 |
| 19719242 | 10.1021/jm900481c | Prostaglandin G/H synthase 1 | 1 |
| 19719242 | 10.1021/jm900481c | Prostaglandin G/H synthase 2 | 1 |
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine