Compound Detail
CHEMBL442963
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 | CHEMBL442963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZELQUYXTQDXAIN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
4.32
ALogP
7
HBA
1
HBD
88.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.0 | 8.375 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 1.0 | nM | 9.0 | Binding affinity to angiotensin AT1 receptor in rabbit aortic rings | 21071232 |
| Type-1 angiotensin II receptor | IC50 | = | 18.0 | nM | 7.75 | In vitro antagonist activity against angiotensin II receptor type 1 in rabbit ao... | 8277505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277505 | 10.1021/jm00078a013 | Type-1 angiotensin II receptor | 1 |
| 8277505 | 10.1021/jm00078a013 | Type-2 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine