Compound Detail
CHEMBL1161396
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Basic Information
| ChEMBL ID | CHEMBL1161396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCSSMGXILSGJBE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
1.94
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL2642 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Angiotensin-converting enzyme CHEMBL2994 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 800.0 | nM | 6.1 | 50% Inhibitory potency against enkephalinase from mouse striatum. | 6298420 |
| Angiotensin-converting enzyme | IC50 | = | 20000.0 | nM | 4.7 | 50% Inhibitory potency against angiotensin I converting enzyme from mouse striat... | 6298420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6298420 | 10.1021/jm00355a013 | Neprilysin | 1 |
| 6298420 | 10.1021/jm00355a013 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine