Compound Detail
CHEMBL314626
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CC(C)C[C@H](NC(=O)C(Cc1ccccc1)CN(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL314626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOJHFIBABLMWLY-KXNJDZORSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
2.04
ALogP
5
HBA
4
HBD
136.0
PSA (Ų)
0.18
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 6.97 | 6.97 | 106.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 5.9 | 5.9 | 1270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 106.0 | nM | 6.97 | Inhibition of Angiotensin I converting enzyme | 10698448 |
| Neprilysin | IC50 | = | 1270.0 | nM | 5.9 | Inhibition of Neutral endopeptidase | 10698448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10698448 | 10.1016/s0960-894x(99)00671-x | Angiotensin-converting enzyme | 1 |
| 10698448 | 10.1016/s0960-894x(99)00671-x | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine