Compound Detail
CHEMBL357311
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Basic Information
| ChEMBL ID | CHEMBL357311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZYXPUAQRACFJD-GJZGRUSLSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.46
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 8.52 | 8.44 | 3.0 | 3 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 5.7 | 5.4 | 2000.0 | 2 |
| Thermolysin CHEMBL3392 | IC50 | 5.4 | 5.4 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 3.0 | nM | 8.52 | Inhibition of neutral endopeptidase | 21381769 |
| Neprilysin | IC50 | = | 4.0 | nM | 8.4 | Inhibition of neutral endopeptidase | 9046340 |
| Neprilysin | IC50 | = | 4.0 | nM | 8.4 | Inhibitory concentration required to inhibit neutral endopeptidase (NEP) | 9046341 |
| Angiotensin-converting enzyme | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory concentration required to inhibit Angiotensin I converting enzyme (AC... | 9046341 |
| Thermolysin | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory concentration required to inhibit thermolysin | 9046340 |
| Thermolysin | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory concentration required to inhibit thermolysin (TLN) | 9046341 |
| Angiotensin-converting enzyme | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of ACE | 21381769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046340 | 10.1021/jm960582o | Neprilysin | 1 |
| 9046340 | 10.1021/jm960582o | Thermolysin | 1 |
| 9046341 | 10.1021/jm960583g | Neprilysin | 1 |
| 9046341 | 10.1021/jm960583g | Thermolysin | 1 |
| 9046341 | 10.1021/jm960583g | Angiotensin-converting enzyme | 1 |
| 21381769 | 10.1021/jm1012374 | Angiotensin-converting enzyme | 1 |
| 21381769 | 10.1021/jm1012374 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine