Compound Detail
CHEMBL499611
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Basic Information
| ChEMBL ID | CHEMBL499611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYESGOUFJMVZTF-MNEFBYGVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
4.44
ALogP
4
HBA
2
HBD
57.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL5786 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 15.0 | nM | 7.82 | Inhibition of ACE | 18674901 |
| Leukotriene A-4 hydrolase | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of guinea pig lung leukotriene A4 hydrolase | 18674901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18674901 | 10.1016/j.bmcl.2008.07.043 | Leukotriene A-4 hydrolase | 1 |
| 18674901 | 10.1016/j.bmcl.2008.07.043 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine