Compound Detail
CHEMBL1778528
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CCC[C@H](NC1(C(=O)N[C@@H](Cc2nc(CC(C)C)co2)C(=O)O)CCCC1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1778528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQXJEPZLFZCIMX-HOTGVXAUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
2.14
ALogP
6
HBA
4
HBD
141.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Natriuretic peptides A CHEMBL1293193 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 20.0 | nM | 7.7 | Inhibition of neutral endopeptidase | 21515054 |
| Natriuretic peptides A | IC50 | = | 75.0 | nM | 7.12 | Inhibition of atrial natriuretic peptide | 21515054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21515054 | 10.1016/j.bmcl.2011.03.109 | Neprilysin | 1 |
| 21515054 | 10.1016/j.bmcl.2011.03.109 | Natriuretic peptides A | 1 |
Data from ChEMBL 36 via Core Engine