Compound Detail
CHEMBL1081479
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Basic Information
| ChEMBL ID | CHEMBL1081479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMCBWIWQRATTJD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
4.57
ALogP
4
HBA
2
HBD
45.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.22 | 6.635 | 60.0 | 2 |
| Alpha-amylase 1A CHEMBL2478 | IC50 | 3.13 | 3.13 | 735000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) usi... | 25036790 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate p... | 25036790 |
| Alpha-amylase 1A | IC50 | = | 735000.0 | nM | 3.13 | Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis... | 26395057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 20137940 | 10.1016/j.bmcl.2010.01.058 | Transitional endoplasmic reticulum ATPase | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Prostaglandin G/H synthase 1 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Prostaglandin G/H synthase 2 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | ADMET | 1 |
| 26395057 | 10.1016/j.bmc.2015.09.007 | Alpha-amylase 1A | 1 |
Data from ChEMBL 36 via Core Engine