Compound Detail
CHEMBL2052007
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Basic Information
| ChEMBL ID | CHEMBL2052007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQSAVWDCKRXSBP-QGTPRVQTSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
3.15
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | Ki | 8.8 | 8.6 | 1.6 | 3 |
| Angiotensin-converting enzyme CHEMBL2994 | Ki | 8.72 | 8.04 | 1.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 1.6 | nM | 8.8 | In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]... | 8164250 |
| Angiotensin-converting enzyme | Ki | = | 1.9 | nM | 8.72 | Inhibitory potency against angiotensin converting enzyme by displacement of [3H]... | 8164250 |
| Neprilysin | Ki | = | 3.1 | nM | 8.51 | In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]... | 8164250 |
| Neprilysin | Ki | = | 3.2 | nM | 8.49 | In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]... | 8164250 |
| Angiotensin-converting enzyme | Ki | = | 15.0 | nM | 7.82 | Inhibitory potency against angiotensin converting enzyme by displacement of [3H]... | 8164250 |
| Angiotensin-converting enzyme | Ki | = | 26.0 | nM | 7.58 | Inhibitory potency against angiotensin converting enzyme by displacement of [3H]... | 8164250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164250 | 10.1021/jm00034a005 | Neprilysin | 3 |
| 8164250 | 10.1021/jm00034a005 | Angiotensin-converting enzyme | 3 |
Data from ChEMBL 36 via Core Engine