Compound Detail
CHEMBL158725
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 | CHEMBL158725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YILJWHUIUCRKEU-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.67
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Kd 2 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.45 | 8.45 | 3.5 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 8.45 | 8.45 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 0.6 | nM | 9.22 | Inhibitory activity against Angiotensin II receptor, type 1 in rat aortic membra... | 8576904 |
| Unchecked | IC50 | = | 0.6 | nM | 9.22 | Antagonist activity at angiotensin AT1 receptor in rat aorta | 21071232 |
| Angiotensin II receptor | Kd | = | 3.548 | nM | 8.45 | Inhibition of angiotensin II-induced contractions in rabbit aorta in vitro. | 8576904 |
| Type-1 angiotensin II receptor | Kd | = | 3.548 | nM | 8.45 | Antagonist activity at angiotensin AT1 receptor in rabbit aorta | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine