Compound Detail
CHEMBL570740
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O=C(N[C@@H](Cc1ccccc1)P(=O)(O)CC(Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL570740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICSDSFFBTUMVKX-UQLRSZRFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
743.8
MW (Da)
7.57
ALogP
5
HBA
5
HBD
157.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Neprilysin CHEMBL1944 | Ki | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Ki | = | 12.0 | nM | 7.92 | Inhibition of human somatic ACE C-terminal domain | 19899765 |
| Neprilysin | Ki | = | 52.0 | nM | 7.28 | Inhibition of human somatic NEP | 19899765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19899765 | 10.1021/jm9010803 | Angiotensin-converting enzyme | 1 |
| 19899765 | 10.1021/jm9010803 | Neprilysin | 1 |
| 19899765 | 10.1021/jm9010803 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine