Compound Detail
CHEMBL43370
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(=O)(O)CC1(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CCCC1
Basic Information
| ChEMBL ID | CHEMBL43370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBQFBYMIHFXWBF-YTCPBCGMSA-N |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
703.8
MW (Da)
2.84
ALogP
7
HBA
7
HBD
220.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 8.6 | 8.6 | 2.5 | 2 |
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 7.16 | 7.12 | 70.0 | 3 |
| Neprilysin CHEMBL1944 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Neprilysin CHEMBL3768 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 2.5 | nM | 8.6 | Compound was measured for the inhibition of Angiotensin I converting enzyme | - |
| Angiotensin-converting enzyme | IC50 | = | 2.5 | nM | 8.6 | Inhibition of Angiotensin I converting enzyme (ACE) | 11906289 |
| Angiotensin-converting enzyme | IC50 | = | 2.5 | nM | 8.6 | Inhibition of human somatic ACE C-terminal domain | 19899765 |
| Endothelin-converting enzyme 1 | IC50 | = | 70.0 | nM | 7.16 | In vitro inhibition of phosphoramidon-sensitive membrane bound zinc metalloprote... | - |
| Endothelin-converting enzyme 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of Endothelin-converting enzyme 1 (ECE) | 11906289 |
| Endothelin-converting enzyme 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human somatic ECE1 | 19899765 |
| Neprilysin | IC50 | = | 90.0 | nM | 7.05 | Compound was measured for the inhibition of neutral endopeptidase 24.11(NEP). | - |
| Neprilysin | IC50 | = | 90.0 | nM | 7.05 | Inhibition of neutral endopeptidase (NEP) | 11906289 |
| Neprilysin | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human somatic NEP | 19899765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00297-1 | Endothelin-converting enzyme 1 | 1 |
| - | 10.1016/0960-894X(96)00297-1 | Angiotensin-converting enzyme | 1 |
| - | 10.1016/0960-894X(96)00297-1 | Neprilysin | 1 |
| 11906289 | 10.1021/jm0005454 | Neprilysin | 1 |
| 11906289 | 10.1021/jm0005454 | Angiotensin-converting enzyme | 1 |
| 11906289 | 10.1021/jm0005454 | Endothelin-converting enzyme 1 | 1 |
| 19899765 | 10.1021/jm9010803 | Angiotensin-converting enzyme | 1 |
| 19899765 | 10.1021/jm9010803 | Endothelin-converting enzyme 1 | 1 |
| 19899765 | 10.1021/jm9010803 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine