Compound Detail
CHEMBL551622
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 | CHEMBL551622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHEKOWDFMNIEBV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.53
ALogP
3
HBA
4
HBD
82.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Neprilysin CHEMBL6107 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human recombinant ACE by fluorimetry | 19596577 |
| Neprilysin | IC50 | = | 580.0 | nM | 6.24 | Inhibition of pig kidney NEP by fluorimetry | 19596577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19596577 | 10.1016/j.bmcl.2009.06.064 | Angiotensin-converting enzyme | 1 |
| 19596577 | 10.1016/j.bmcl.2009.06.064 | Neprilysin | 1 |
| 19596577 | 10.1016/j.bmcl.2009.06.064 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine