Compound Detail
CHEMBL194891
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Basic Information
| ChEMBL ID | CHEMBL194891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUSHLFKUHGFZFA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.35
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-lipoxygenase CHEMBL3317 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Seed linoleate 13S-lipoxygenase-1 CHEMBL4586 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Seed linoleate 13S-lipoxygenase-1 | IC50 | = | 7000.0 | nM | 5.16 | In vitro inhibitory activity against 5-lipoxygenase obtained from potato | 16143531 |
| 5-lipoxygenase | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory activity against potato 5LOX | 16509583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509583 | 10.1021/jm0510474 | Rattus norvegicus | 4 |
| 16143531 | 10.1016/j.bmcl.2005.07.036 | Seed linoleate 13S-lipoxygenase-1 | 2 |
| 16143531 | 10.1016/j.bmcl.2005.07.036 | Prostaglandin G/H synthase 1 | 1 |
| 16143531 | 10.1016/j.bmcl.2005.07.036 | Prostaglandin G/H synthase 2 | 1 |
| 16509583 | 10.1021/jm0510474 | Prostaglandin G/H synthase 1 | 1 |
| 16509583 | 10.1021/jm0510474 | Prostaglandin G/H synthase 2 | 1 |
| 16509583 | 10.1021/jm0510474 | 5-lipoxygenase | 1 |
| 16509583 | 10.1021/jm0510474 | Seed linoleate 13S-lipoxygenase-1 | 1 |
Data from ChEMBL 36 via Core Engine