Compound Detail
CHEMBL357226
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
CC(C)CC(NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc12)NCP(=O)(O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL357226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGKGUEDVMKIJFU-ZENAZSQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
2.84
ALogP
5
HBA
5
HBD
149.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 13.0 | nM | 7.89 | In Vitro inhibition of recombinant human endothelin converting enzyme-1 | 10669576 |
| Neprilysin | IC50 | = | 31.0 | nM | 7.51 | In vitro inhibition of rat neutral endopeptidase | 10669576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669576 | 10.1021/jm990507o | Endothelin-converting enzyme 1 | 2 |
| 10669576 | 10.1021/jm990507o | Neprilysin | 1 |
| 10669576 | 10.1021/jm990507o | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine