Compound Detail
CHEMBL19621
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 | CHEMBL19621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIMKJXCMBALPEJ-HOTGVXAUSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.34
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Neprilysin CHEMBL3768 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 23.0 | nM | 7.64 | Inhibitory activity was tested against neutral endopeptidase | 8632427 |
| Neprilysin | Ki | = | 23.0 | nM | 7.64 | Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrat... | 28676269 |
| Angiotensin-converting enzyme | IC50 | = | 44.0 | nM | 7.36 | Inhibitory activity against angiotensin I converting enzyme | 8632427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28676269 | 10.1016/j.bmcl.2017.06.050 | Unchecked | 4 |
| 8632427 | 10.1021/jm950590p | Neprilysin | 1 |
| 8632427 | 10.1021/jm950590p | Angiotensin-converting enzyme | 1 |
| 28676269 | 10.1016/j.bmcl.2017.06.050 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine