Compound Detail
CHEMBL114591
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL114591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFWDQXSUHPPOCV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.54
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 47.0 | nM | 7.33 | Inhibition of leukotriene A4 hydrolase in human recombinant assay | 12419366 |
| Homo sapiens | IC50 | = | 200.0 | nM | 6.7 | Inhibition of leukotriene B4 production in human whole blood | 12419366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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