Compound Detail
CHEMBL309836
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Basic Information
| ChEMBL ID | CHEMBL309836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOBYAAOXHXIEJG-JDZGAICCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
2.30
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Neprilysin CHEMBL3369 | Ki | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Ki | = | 2.0 | nM | 8.7 | Binding affinity of compound against rabbit lung angiotensin I-converting enzyme... | 8360888 |
| Neprilysin | Ki | = | 45.0 | nM | 7.35 | Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was ... | 8360888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360888 | 10.1021/jm00068a022 | Angiotensin-converting enzyme | 2 |
| 8360888 | 10.1021/jm00068a022 | Neprilysin | 2 |
Data from ChEMBL 36 via Core Engine