Compound Detail
CHEMBL290698
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Basic Information
| ChEMBL ID | CHEMBL290698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUMKQZVEZSXWBY-HNNXBMFYSA-N |
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
1.88
ALogP
5
HBA
4
HBD
124.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 9.05 | 9.025 | 0.9 | 2 |
| Neprilysin CHEMBL3369 | IC50 | 9.03 | 9.015 | 0.9 | 2 |
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 6.39 | 6.39 | 410.0 | 3 |
| Endothelin-converting enzyme 1 CHEMBL2676 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 0.9 | nM | 9.05 | Inhibition of neutral endopeptidase 24.11(NEP) | - |
| Neprilysin | IC50 | = | 0.93 | nM | 9.03 | In vitro inhibitory activity against neutral endopeptidase (NEP) | - |
| Neprilysin | IC50 | = | 1.0 | nM | 9.0 | Inhibitory activity against neutral endopeptidase (NEP). | 9554884 |
| Neprilysin | IC50 | = | 1.0 | nM | 9.0 | In vitro inhibition of rat neutral endopeptidase | 10669576 |
| Endothelin-converting enzyme 1 | IC50 | = | 410.0 | nM | 6.39 | In vitro inhibition against recombinant human Endothelin converting enzyme 1 act... | - |
| Endothelin-converting enzyme 1 | IC50 | = | 410.0 | nM | 6.39 | Inhibitory activity was assessed on CHO cells expressing recombinant human Endot... | 9554884 |
| Endothelin-converting enzyme 1 | IC50 | = | 410.0 | nM | 6.39 | In Vitro inhibition of recombinant human endothelin converting enzyme-1 | 10669576 |
| Endothelin-converting enzyme 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory activity against endothelin-converting enzyme | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00159-5 | Endothelin-converting enzyme 1 | 2 |
| - | 10.1016/S0960-894X(97)00159-5 | Neprilysin | 1 |
| 9554884 | 10.1021/jm970787c | Endothelin-converting enzyme 1 | 1 |
| 9554884 | 10.1021/jm970787c | Neprilysin | 1 |
| 9554884 | 10.1021/jm970787c | Unchecked | 1 |
| 10669576 | 10.1021/jm990507o | Endothelin-converting enzyme 1 | 1 |
| 10669576 | 10.1021/jm990507o | Neprilysin | 1 |
| 10669576 | 10.1021/jm990507o | Unchecked | 1 |
| - | 10.1016/0960-894X(94)00475-U | Neprilysin | 1 |
| - | 10.1016/0960-894X(94)00475-U | Endothelin-converting enzyme 1 | 1 |
| - | 10.1016/0960-894X(94)00474-T | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine