Compound Detail
CHEMBL473379
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Basic Information
| ChEMBL ID | CHEMBL473379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOCCDOCIYYDLGJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
194.2
MW (Da)
1.80
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.3167 | 32000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of 15-lipoxygenase form soybean | 19251422 |
| Unchecked | IC50 | = | 56700.0 | nM | 4.25 | Inhibition of human recombinant 15-lipoxygenase a | 19251422 |
| Unchecked | IC50 | = | 63200.0 | nM | 4.2 | Inhibition of human recombinant 15-lipoxygenase b | 19251422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19251422 | 10.1016/j.bmc.2009.02.009 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine