Compound Detail
CHEMBL415881
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
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCN)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2
Basic Information
| ChEMBL ID | CHEMBL415881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUFPGGGCYURSDX-ACRUOGEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.7
MW (Da)
2.50
ALogP
8
HBA
3
HBD
122.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 200.0 | nM | 6.7 | Compound tested in vitro for inhibition of Angiotensin I converting enzyme | 2544729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2544729 | 10.1021/jm00127a033 | Angiotensin-converting enzyme | 2 |
Data from ChEMBL 36 via Core Engine