Compound Detail
CHEMBL40161
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Basic Information
| ChEMBL ID | CHEMBL40161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQPJYEAKRRNXJM-HOTGVXAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.8
MW (Da)
1.79
ALogP
4
HBA
5
HBD
136.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 4300.0 | nM | 5.37 | Inhibitory activity was assessed on CHO cells expressing recombinant human Endot... | 9554884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554884 | 10.1021/jm970787c | Endothelin-converting enzyme 1 | 2 |
| 9554884 | 10.1021/jm970787c | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine