Compound Detail
CHEMBL416522
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Basic Information
| ChEMBL ID | CHEMBL416522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZUNCDMEACMLMW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
3.16
ALogP
4
HBA
4
HBD
86.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Angiotensin-converting enzyme CHEMBL2994 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 11.0 | nM | 7.96 | In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]... | 8164250 |
| Angiotensin-converting enzyme | IC50 | = | 210.0 | nM | 6.68 | Inhibitory potency against angiotensin converting enzyme by displacement of [3H]... | 8164250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164250 | 10.1021/jm00034a005 | Neprilysin | 1 |
| 8164250 | 10.1021/jm00034a005 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine