Compound Detail
CHEMBL1829587
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Basic Information
| ChEMBL ID | CHEMBL1829587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMDLLGITZYDWJM-GOTSBHOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
4.02
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 420.0 | nM | 6.38 | 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