Compound Detail
CHEMBL4091335
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 | CHEMBL4091335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QITLDLAJBNQSFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
3.77
ALogP
4
HBA
1
HBD
46.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | Ki | 5.78 | 5.78 | 1650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 1650.0 | nM | 5.78 | Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrat... | 28676269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28676269 | 10.1016/j.bmcl.2017.06.050 | Unchecked | 4 |
| 28676269 | 10.1016/j.bmcl.2017.06.050 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine