Compound Detail
CHEMBL481280
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Basic Information
| ChEMBL ID | CHEMBL481280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUZBVOKDNAZIIM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.39
ALogP
5
HBA
1
HBD
62.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL3738 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human recombinant leukotriene A4 hydrolase by enzyme immunoassay | 18588282 |
| Leukotriene A-4 hydrolase | IC50 | = | 88.0 | nM | 7.06 | Inhibition of leukotriene A4 hydrolase activity in CD1 mouse whole blood assesse... | 18588282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18588282 | 10.1021/jm701575k | Unchecked | 14 |
| 18588282 | 10.1021/jm701575k | Rattus norvegicus | 3 |
| 18588282 | 10.1021/jm701575k | C-C chemokine receptor type 1 | 2 |
| 18588282 | 10.1021/jm701575k | Sodium-dependent dopamine transporter | 2 |
| 18588282 | 10.1021/jm701575k | Leukotriene A-4 hydrolase | 2 |
| 18588282 | 10.1021/jm701575k | Adenosine receptor A3 | 1 |
| 23127888 | 10.1016/j.bmcl.2012.10.036 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18588282 | 10.1021/jm701575k | Substance-K receptor | 1 |
| 18588282 | 10.1021/jm701575k | Melanocortin receptor 4 | 1 |
| 18588282 | 10.1021/jm701575k | C-X-C chemokine receptor type 2 | 1 |
| 18588282 | 10.1021/jm701575k | Galanin receptor type 2 | 1 |
| 18588282 | 10.1021/jm701575k | D(1A) dopamine receptor | 1 |
| 18588282 | 10.1021/jm701575k | B2 bradykinin receptor | 1 |
| 18588282 | 10.1021/jm701575k | Endothelin-1 receptor | 1 |
| 18588282 | 10.1021/jm701575k | Type-1 angiotensin II receptor | 1 |
| 18588282 | 10.1021/jm701575k | Beta-1 adrenergic receptor | 1 |
| 18588282 | 10.1021/jm701575k | Adenosine receptor A1 | 1 |
| 18588282 | 10.1021/jm701575k | 5-hydroxytryptamine receptor 6 | 1 |
| 18588282 | 10.1021/jm701575k | Histamine H1 receptor | 1 |
| 18588282 | 10.1021/jm701575k | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine