Compound Detail
CHEMBL2296819
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Basic Information
| ChEMBL ID | CHEMBL2296819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDILITCSDMQJIE-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.24
ALogP
5
HBA
1
HBD
41.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Seed linoleate 13S-lipoxygenase-1 CHEMBL4586 | Ki | 5.73 | 5.73 | 1845.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Seed linoleate 13S-lipoxygenase-1 | Ki | = | 1845.0 | nM | 5.73 | Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decreas... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0506-7 | Seed linoleate 13S-lipoxygenase-1 | 2 |
| - | 10.1007/s00044-013-0506-7 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine