Compound Detail
CHEMBL77029
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Basic Information
| ChEMBL ID | CHEMBL77029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQXCHYJYDHENOZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.85
ALogP
6
HBA
1
HBD
103.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 4.5 | nM | 8.35 | Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical mem... | 8360878 |
| Type-2 angiotensin II receptor | Ki | = | 4.5 | nM | 8.35 | Binding affinity to angiotensin AT2 receptor | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360878 | 10.1021/jm00068a010 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8360878 | 10.1021/jm00068a010 | Angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine