Compound Detail
CHEMBL158617
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
Basic Information
| ChEMBL ID | CHEMBL158617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SISFSBJXTQYYDZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
1.26
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 170.0 | nM | 6.77 | In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme... | 2981324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2981324 | 10.1021/jm00379a013 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine