Compound Detail
CHEMBL400424
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Basic Information
| ChEMBL ID | CHEMBL400424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACUBPBCHAVPOHH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.10
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.16
Kd 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 8.5 | 8.5 | 3.2 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Kd | = | 3.162 | nM | 8.5 | Antagonist activity at AT1 receptor assessed inhibition of angiotensin-2-induced... | 17412584 |
| Type-1 angiotensin II receptor | IC50 | = | 6.9 | nM | 8.16 | 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 |
Data from ChEMBL 36 via Core Engine