Compound Detail
CHEMBL563693
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Basic Information
| ChEMBL ID | CHEMBL563693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVCTYSQBVIGZRU-QGZVFWFLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
389.9
MW (Da)
4.84
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.48 | 7.2633 | 33.0 | 3 |
| Blood CHEMBL613416 | IC50 | 7.43 | 7.43 | 37.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 33.0 | nM | 7.48 | Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-st... | 19950900 |
| Blood | IC50 | = | 37.3 | nM | 7.43 | Inhibition of ionomycin-stimulated LTB4 production in human whole blood treated ... | 19618939 |
| Leukotriene A-4 hydrolase | IC50 | = | 68.5 | nM | 7.16 | Inhibition of peptidase activity of human recombinant LTA4H expressed in Escheri... | 19618939 |
| Leukotriene A-4 hydrolase | IC50 | = | 70.8 | nM | 7.15 | Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escheri... | 19618939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19618939 | 10.1021/jm900259h | Leukotriene A-4 hydrolase | 2 |
| 19618939 | 10.1021/jm900259h | Blood | 1 |
| 19618939 | 10.1021/jm900259h | No relevant target | 1 |
| 19950900 | 10.1021/jm900838g | Leukotriene A-4 hydrolase | 1 |
Data from ChEMBL 36 via Core Engine