Compound Detail
CHEMBL560685
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Basic Information
| ChEMBL ID | CHEMBL560685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGHTYLMQJBOVQI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
2.05
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL6107 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 300.0 | nM | 6.52 | Inhibition of pig kidney NEP by fluorimetry | 19596577 |
| Angiotensin-converting enzyme | IC50 | = | 830.0 | nM | 6.08 | Inhibition of human recombinant ACE 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