Compound Detail
CHEMBL434070
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CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL434070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFJYTIBPBPKSAN-DKIMLUQUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
2.67
ALogP
4
HBA
3
HBD
86.7
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 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 7.77 | 7.77 | 17.0 | 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 | In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung... | 8558518 |
| Neprilysin | IC50 | = | 17.0 | nM | 7.77 | In vitro inhibition of purified rat kidney Neutral endopeptidase. | 8558518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558518 | 10.1021/jm950677a | Neprilysin | 1 |
| 8558518 | 10.1021/jm950677a | Angiotensin-converting enzyme | 1 |
| 8558518 | 10.1021/jm950677a | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine