Compound Detail
CHEMBL129292
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Basic Information
| ChEMBL ID | CHEMBL129292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYQIKMSBOJBSHY-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
6.41
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.82 | 8.06 | 1.5 | 4 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.85 | 7.85 | 14.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 4000.0 | nM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1.5 | nM | 8.82 | Test inhibition of LTB4 production in human peripheral blood polymorphonuclear l... | 8831761 |
| Homo sapiens | IC50 | = | 1.5 | nM | 8.82 | In vitro inhibition of LTB4 formation in human peripheral blood polymorphonuclea... | 8120869 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 14.0 | nM | 7.85 | Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxyge... | 8831761 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 14.0 | nM | 7.85 | In vitro potency against human 5-Lipoxygenase | 8120869 |
| Unchecked | IC50 | = | 14.0 | nM | 7.85 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
| Homo sapiens | IC50 | = | 50.0 | nM | 7.3 | Compound was tested for the inhibition of LTB4 production in human whole blood (... | 8831761 |
| Homo sapiens | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibition of LTB4 formation in human whole blood(HWB) | 8120869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831761 | 10.1021/jm960301c | Homo sapiens | 2 |
| 8120869 | 10.1021/jm00030a010 | Homo sapiens | 2 |
| 8831761 | 10.1021/jm960301c | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8120869 | 10.1021/jm00030a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8120869 | 10.1021/jm00030a010 | ADMET | 1 |
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine