Compound Detail
CHEMBL3604180
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Basic Information
| ChEMBL ID | CHEMBL3604180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUVXQEJXXAPQHS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
219.6
MW (Da)
2.87
ALogP
3
HBA
1
HBD
54.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 7.89 | 7.795 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion ... | 26037322 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in con... | 26037322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26037322 | 10.1016/j.bmcl.2015.05.004 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 4 |
| 26037322 | 10.1016/j.bmcl.2015.05.004 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine