Compound Detail
CHEMBL1160959
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CSCC[C@H](N)CSSC[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1160959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXXMSEVVNUSHKJ-PEIRWHMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
582.9
MW (Da)
5.78
ALogP
7
HBA
2
HBD
81.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
17
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 |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Aminopeptidase N CHEMBL1907 | Ki | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 2.0 | nM | 8.7 | Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral en... | 11585456 |
| Aminopeptidase N | Ki | = | 11.0 | nM | 7.96 | Compound was evaluated for inhibition of enkephalin degrading enzyme, aminopepti... | 11585456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585456 | 10.1021/jm0102248 | Neprilysin | 1 |
| 11585456 | 10.1021/jm0102248 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine