Compound Detail
CHEMBL325056
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Basic Information
| ChEMBL ID | CHEMBL325056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFRAYRSPNYPQEU-VCAIXKDPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
2.03
ALogP
4
HBA
3
HBD
86.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 5.0 | nM | 8.3 | Inhibitory activity against angiotensin I converting enzyme (ACE) | 10669559 |
| Neprilysin | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity against Endopeptidase | 10669559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669559 | 10.1021/jm990412m | Angiotensin-converting enzyme | 1 |
| 10669559 | 10.1021/jm990412m | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine