Compound Detail
CHEMBL1775110
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Basic Information
| ChEMBL ID | CHEMBL1775110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVBPJCVBBCXOGG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
3.33
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 5.68 | 5.575 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of LTA4 hydrolase in human whole blood assessed as inhibition of calc... | 21542630 |
| Leukotriene A-4 hydrolase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15... | 21542630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21542630 | 10.1021/jm200063s | Prostaglandin G/H synthase 2 | 2 |
| 21542630 | 10.1021/jm200063s | Leukotriene A-4 hydrolase | 2 |
| 21542630 | 10.1021/jm200063s | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine