Compound Detail
CHEMBL112522
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Basic Information
| ChEMBL ID | CHEMBL112522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZHPDVDDEHOKPJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
4.14
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.26 | 7.0967 | 55.0 | 3 |
| Homo sapiens CHEMBL372 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 55.0 | nM | 7.26 | Inhibition of leukotriene A4 hydrolase in human recombinant assay | 12419366 |
| Leukotriene A-4 hydrolase | IC50 | = | 55.0 | nM | 7.26 | Inhibitory activity was determined against Leukotriene A4 hydrolase | 10691697 |
| Homo sapiens | IC50 | = | 170.0 | nM | 6.77 | Inhibition of leukotriene B4 production in human whole blood | 12419366 |
| Leukotriene A-4 hydrolase | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity was determined for LTB4 production in human whole blood. | 10691697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691697 | 10.1021/jm990496z | Leukotriene A-4 hydrolase | 2 |
| 12419366 | 10.1016/s0960-894x(02)00760-6 | Leukotriene A-4 hydrolase | 1 |
| 12419366 | 10.1016/s0960-894x(02)00760-6 | Homo sapiens | 1 |
| 12419366 | 10.1016/s0960-894x(02)00760-6 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine