Compound Detail
CHEMBL341868
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O=C(N[C@H](C(=O)O)c1ccccc1)C(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL341868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUGZWZGJOFRYRK-KEKNWZKVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.4
MW (Da)
2.93
ALogP
4
HBA
5
HBD
136.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibition of Neutral endopeptidase (NEP) enzyme | 8120868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8120868 | 10.1021/jm00030a009 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine