Compound Detail
CHEMBL257726
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Basic Information
| ChEMBL ID | CHEMBL257726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDIPKMHZRNJMPR-IRXDYDNUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.17
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Angiotensin-converting enzyme 2 CHEMBL3736 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 8.07 | 8.07 | 8.6 | 1 |
| Carboxypeptidase A1 CHEMBL2088 | Ki | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 0.8 | nM | 9.1 | Inhibition of human recombinant NEP by fluorescence assay | 18078750 |
| Angiotensin-converting enzyme 2 | Ki | = | 1.4 | nM | 8.85 | Inhibition of human recombinant ACE2 by fluorescence assay | 18078750 |
| Angiotensin-converting enzyme | Ki | = | 8.6 | nM | 8.07 | Inhibition of human recombinant ACE by fluorescence assay | 18078750 |
| Carboxypeptidase A1 | Ki | = | 9300.0 | nM | 5.03 | Inhibition of human recombinant carboxy peptidase A1 by fluorescence assay | 18078750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18078750 | 10.1016/j.bmcl.2007.11.048 | Angiotensin-converting enzyme 2 | 1 |
| 18078750 | 10.1016/j.bmcl.2007.11.048 | Angiotensin-converting enzyme | 1 |
| 18078750 | 10.1016/j.bmcl.2007.11.048 | Neprilysin | 1 |
| 18078750 | 10.1016/j.bmcl.2007.11.048 | Carboxypeptidase A1 | 1 |
Data from ChEMBL 36 via Core Engine