Compound Detail
CHEMBL1788109
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(=O)S[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H](C(=O)O)[C@@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1788109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKCYVTMXMZFYCR-HYNSBDGHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
1.78
ALogP
5
HBA
2
HBD
112.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Ki | = | 0.16 | nM | 9.8 | Enzyme inhibitory activity towards Angiotensin I converting enzyme | 10508425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508425 | 10.1021/jm990174v | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine