Compound Detail
CHEMBL317304
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
CCCCN1C[C@@H](C(=O)O)N(C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)O)C1=O
Basic Information
| ChEMBL ID | CHEMBL317304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXKNPBOMMAVIAP-XIRDDKMYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
1.57
ALogP
5
HBA
3
HBD
127.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 6.7 | nM | 8.17 | Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-hi... | 2913292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2913292 | 10.1021/jm00122a003 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine