Compound Detail
CHEMBL1829584
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O=C(O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)N[C@@H](CCc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1829584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIRVOOJFZHUHPR-DQEYMECFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
3.53
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.30
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 9.44 | 9.44 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 0.36 | nM | 9.44 | Inhibition of neutral endopeptidase in human fibroblasts homogenates using gluta... | 21937235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21937235 | 10.1016/j.bmc.2011.08.064 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine