Compound Detail
CHEMBL4439270
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Basic Information
| ChEMBL ID | CHEMBL4439270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDQRKSBWEPVWFT-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.75
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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 recombinant human NEP expressed in insect cells preincubated for 1... | 32071687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32071687 | 10.1021/acsmedchemlett.9b00578 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine