Compound Detail
CHEMBL88084
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Basic Information
| ChEMBL ID | CHEMBL88084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWYVKCUPNWXZEO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
5.07
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 8.92 | 8.07 | 1.2 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 8.0 | 7.58 | 10.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 0.5 | nM | 9.3 | In vitro inhibitory activity against leukotriene synthesis in mouse macrophages | 1321908 |
| Homo sapiens | IC50 | = | 1.2 | nM | 8.92 | In vitro inhibition of LTB4 formation in human peripheral blood polymorphonuclea... | 8120869 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 10.0 | nM | 8.0 | In vitro potency against human 5-Lipoxygenase | 8120869 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
| Homo sapiens | IC50 | = | 60.0 | nM | 7.22 | In vitro inhibition of LTB4 formation in human whole blood(HWB) | 8120869 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 70.0 | nM | 7.16 | In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiti... | 1321908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1321908 | 10.1021/jm00092a010 | Rattus norvegicus | 3 |
| 8120869 | 10.1021/jm00030a010 | Homo sapiens | 2 |
| 8120869 | 10.1021/jm00030a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 1321908 | 10.1021/jm00092a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 1321908 | 10.1021/jm00092a010 | Mus musculus | 1 |
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine