Compound Detail
CHEMBL480336
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Basic Information
| ChEMBL ID | CHEMBL480336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAUXHFPOFOZZLZ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
4.55
ALogP
6
HBA
0
HBD
54.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.01
EC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 8.01 | 7.4167 | 9.7 | 3 |
| Mus musculus CHEMBL375 | EC50 | 7.14 | 7.14 | 72.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL3738 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.333 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 29.0 | % | Rattus norvegicus |
| T1/2 | 0.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 9.7 | nM | 8.01 | Inhibition of recombinant human LTA4H expressed in Sf9 cells using LTA4 as subst... | 23260350 |
| Leukotriene A-4 hydrolase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human recombinant leukotriene A4 hydrolase by enzyme immunoassay | 18588282 |
| Mus musculus | EC50 | = | 72.0 | nM | 7.14 | Inhibition of LTA4H in po dosed Balb/c mouse assessed as concentration required ... | 23260350 |
| Leukotriene A-4 hydrolase | IC50 | = | 130.0 | nM | 6.89 | Inhibition of leukotriene A4 hydrolase activity in CD1 mouse whole blood assesse... | 18588282 |
| Leukotriene A-4 hydrolase | IC50 | = | 365.0 | nM | 6.44 | Inhibition of LTA4H in human whole blood assessed as decrease in LTB4 production | 23260350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23260350 | 10.1016/j.bmcl.2012.11.074 | Rattus norvegicus | 4 |
| 18588282 | 10.1021/jm701575k | Leukotriene A-4 hydrolase | 2 |
| 18588282 | 10.1021/jm701575k | Mus musculus | 2 |
| 23260350 | 10.1016/j.bmcl.2012.11.074 | Mus musculus | 2 |
| 23260350 | 10.1016/j.bmcl.2012.11.074 | Leukotriene A-4 hydrolase | 2 |
Data from ChEMBL 36 via Core Engine