Compound Detail
CHEMBL360681
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 | CHEMBL360681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCHRVCDBKIFELQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
3.62
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 11.0 | nM | 7.96 | Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as sy... | 3035180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3035180 | 10.1021/jm00389a006 | Rattus norvegicus | 2 |
| 3035180 | 10.1021/jm00389a006 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine