Compound Detail
CHEMBL558146
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Basic Information
| ChEMBL ID | CHEMBL558146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYMMAGGCPNJADM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
2.68
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Neprilysin CHEMBL6107 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 5.62 | 5.62 | 2420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 1010.0 | nM | 6.0 | Inhibition of human recombinant ACE by fluorimetry | 19596577 |
| Neprilysin | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of pig kidney NEP by fluorimetry | 19596577 |
| Endothelin-converting enzyme 1 | IC50 | = | 2420.0 | nM | 5.62 | Inhibition of human recombinant ECE1 by fluorimetry | 19596577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19596577 | 10.1016/j.bmcl.2009.06.064 | Angiotensin-converting enzyme | 1 |
| 19596577 | 10.1016/j.bmcl.2009.06.064 | Neprilysin | 1 |
| 19596577 | 10.1016/j.bmcl.2009.06.064 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine