Compound Detail
CHEMBL3263323
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Basic Information
| ChEMBL ID | CHEMBL3263323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHPRJGWBPKEYNT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
2.36
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.38 | 4180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubat... | 25765759 |
| Unchecked | IC50 | = | 4180.0 | nM | 5.38 | Inhibition of hexa-His-tagged PAI-1 N152H/K156T/Q321L/M356I mutant (unknown orig... | 24731276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Polyunsaturated fatty acid 5-lipoxygenase | 5 |
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Macrophage-expressed gene 1 protein | 2 |
| 24731276 | 10.1016/j.bmcl.2014.03.045 | Unchecked | 1 |
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
Data from ChEMBL 36 via Core Engine