Compound Detail
CHEMBL61566
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Basic Information
| ChEMBL ID | CHEMBL61566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLQMBZAFWTZNAX-HOTGVXAUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
1.35
ALogP
5
HBA
3
HBD
90.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Neprilysin CHEMBL1944 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 6.0 | nM | 8.22 | In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat ... | - |
| Neprilysin | IC50 | = | 1490.0 | nM | 5.83 | In vitro inhibitory activity against neutral endopeptidase (NEP) was determined | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80562-X | Neprilysin | 1 |
| - | 10.1016/S0960-894X(01)80562-X | Angiotensin-converting enzyme | 1 |
| - | 10.1016/S0960-894X(01)80562-X | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine