Compound Detail
CHEMBL357584
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Basic Information
| ChEMBL ID | CHEMBL357584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLCDUNQMSZJEDY-CVEARBPZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
2.85
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 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
| Thermolysin CHEMBL3392 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 4.0 | nM | 8.4 | Inhibitory concentration required to inhibit neutral endopeptidase (NEP) | 9046341 |
| Angiotensin-converting enzyme | IC50 | = | 175.0 | nM | 6.76 | Inhibitory concentration required to inhibit Angiotensin I converting enzyme (AC... | 9046341 |
| Thermolysin | IC50 | = | 34000.0 | nM | 4.47 | Inhibitory concentration required to inhibit thermolysin (TLN) | 9046341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046341 | 10.1021/jm960583g | Neprilysin | 1 |
| 9046341 | 10.1021/jm960583g | Thermolysin | 1 |
| 9046341 | 10.1021/jm960583g | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine