Compound Detail
CHEMBL357441
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
COc1ccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)O)P(=O)(O)O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL357441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILIMJHCKHMQEFX-JINQPTGOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
4.33
ALogP
6
HBA
4
HBD
138.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 7.54 | 6.795 | 29.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 29.0 | nM | 7.54 | In Vitro inhibition of recombinant human endothelin converting enzyme-1 | 10669576 |
| Endothelin-converting enzyme 1 | IC50 | = | 890.0 | nM | 6.05 | In Vitro inhibition of recombinant human endothelin converting enzyme-1 | 10669576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669576 | 10.1021/jm990507o | Endothelin-converting enzyme 1 | 4 |
| 10669576 | 10.1021/jm990507o | Unchecked | 2 |
| 10669576 | 10.1021/jm990507o | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine