Compound Detail
CHEMBL37596
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Basic Information
| ChEMBL ID | CHEMBL37596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSRFAHTWPLPZSJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.66
ALogP
3
HBA
4
HBD
82.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | Ki | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 140.0 | nM | 6.85 | Inhibition of neutral endopeptidase (NEP) | 11906289 |
| Angiotensin-converting enzyme | Ki | = | 250.0 | nM | 6.6 | Inhibition of Angiotensin I converting enzyme (ACE) | 11906289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11906289 | 10.1021/jm0005454 | Neprilysin | 1 |
| 11906289 | 10.1021/jm0005454 | Angiotensin-converting enzyme | 1 |
| 11906289 | 10.1021/jm0005454 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine