Compound Detail
CHEMBL443559
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Basic Information
| ChEMBL ID | CHEMBL443559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHBCRQGORJHDDO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.82
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.04 | 8.04 | 9.1 | 3 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.04 | 8.04 | 9.1 | 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 | = | 9.1 | nM | 8.04 | In vitro binding affinity for rat liver angiotensin II receptor type 1, determin... | 9046346 |
| Type-1 angiotensin II receptor | IC50 | = | 9.1 | nM | 8.04 | Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expr... | 21683484 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 9.099 | nM | 8.04 | Antagonist activity at AT1 receptor in Rattus norvegicus (rat) liver | - |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 9.1 | nM | 8.04 | Antagonist activity at AT1 receptor in Rattus norvegicus (rat) liver | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046346 | 10.1021/jm9604383 | Rattus norvegicus | 4 |
| 21683484 | 10.1016/j.ejmech.2011.05.056 | Type-1 angiotensin II receptor | 2 |
| - | 10.1007/s00044-012-0206-8 | Angiotensin II receptor (AT-1) type-1 | 2 |
| 9046346 | 10.1021/jm9604383 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine