Compound Detail
CHEMBL78429
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Basic Information
| ChEMBL ID | CHEMBL78429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIWRWPXUDHZKIO-WTLQVUHWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
2.78
ALogP
4
HBA
3
HBD
86.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | Ki | 10.15 | 10.125 | 0.1 | 2 |
| Angiotensin-converting enzyme CHEMBL4074 | Ki | 9.96 | 9.155 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 0.07 | nM | 10.15 | Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was ... | 8360888 |
| Neprilysin | Ki | = | 0.08 | nM | 10.1 | Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was ... | 8360888 |
| Angiotensin-converting enzyme | Ki | = | 0.11 | nM | 9.96 | Binding affinity of compound against rabbit lung angiotensin I-converting enzyme... | 8360888 |
| Angiotensin-converting enzyme | Ki | = | 4.5 | nM | 8.35 | Binding affinity of compound against rabbit lung angiotensin I-converting enzyme... | 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