Compound Detail
CHEMBL245444
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Basic Information
| ChEMBL ID | CHEMBL245444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QURQPBWFWDKVCC-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
4.18
ALogP
8
HBA
1
HBD
103.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.4
IC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 8.4 | 8.4 | 4.0 | 2 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Kd | = | 3.981 | nM | 8.4 | Antagonist activity at AT1 receptor assessed inhibition of angiotensin-2-induced... | 17412584 |
| Type-1 angiotensin II receptor | Kd | = | 3.981 | nM | 8.4 | Antagonist activity at angiotensin AT1 receptor in rabbit thoracic aortic rings | 21071232 |
| Type-1 angiotensin II receptor | IC50 | = | 9.8 | nM | 8.01 | Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor | 17412584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17412584 | 10.1016/j.bmcl.2007.02.042 | Type-1 angiotensin II receptor | 5 |
| 17412584 | 10.1016/j.bmcl.2007.02.042 | Rattus norvegicus | 3 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine