Compound Detail
CHEMBL2296821
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Basic Information
| ChEMBL ID | CHEMBL2296821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSRCTCMREBPJCR-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
4.87
ALogP
5
HBA
1
HBD
41.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.06
Ki 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Seed linoleate 13S-lipoxygenase-1 CHEMBL4586 | Ki | 6.31 | 6.31 | 486.0 | 1 |
| Seed linoleate 13S-lipoxygenase-1 CHEMBL4586 | IC50 | 4.06 | 4.06 | 86300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Seed linoleate 13S-lipoxygenase-1 | Ki | = | 486.0 | nM | 6.31 | Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decreas... | - |
| Seed linoleate 13S-lipoxygenase-1 | IC50 | = | 86300.0 | nM | 4.06 | Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using l... | - |
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