Compound Detail
CHEMBL85542
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Basic Information
| ChEMBL ID | CHEMBL85542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWBDKOVIYGTOQN-ZIAGYGMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
1.21
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 1800.0 | nM | 5.75 | Inhibitory activity against recombinant human Leukotriene A4 hydrolase | - |
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory activity against aminopeptidase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00441-U | Leukotriene A-4 hydrolase | 1 |
| - | 10.1016/0960-894X(95)00441-U | Unchecked | 1 |
| - | 10.1016/0960-894X(95)00441-U | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine