Compound Detail
CHEMBL418941
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL418941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGJTUEISKATQSM-USWFWKISSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
5.40
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human platelet 12-lipoxygenase by UV-visible spectrophotometry | 24924423 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of rat basophilic leukemia-1 (RBL-1) 5-lipoxygenase | 3806609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24924423 | 10.1016/j.bmc.2014.05.025 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 3 |
| 24924423 | 10.1016/j.bmc.2014.05.025 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 3 |
| 3806609 | 10.1021/jm00385a005 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 24924423 | 10.1016/j.bmc.2014.05.025 | Unchecked | 1 |
| 24924423 | 10.1016/j.bmc.2014.05.025 | Polyunsaturated fatty acid lipoxygenase ALOX15B | 1 |
| 24924423 | 10.1016/j.bmc.2014.05.025 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine