Compound Detail
CHEMBL58156
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Basic Information
| ChEMBL ID | CHEMBL58156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPAQGRYPYVGJTN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.57
ALogP
7
HBA
1
HBD
85.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 2.3 | nM | 8.64 | Inhibition of Angiotensin II receptor type 1 in rabbit aorta binding assay | - |
| Angiotensin II receptor | IC50 | = | 2.3 | nM | 8.64 | Compound was tested for inhibition of Angiotensin II receptor in rabbit aorta bi... | - |
| Type-2 angiotensin II receptor | IC50 | = | 2.3 | nM | 8.64 | Binding affinity to angiotensin AT2 receptor | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-2 angiotensin II receptor | 2 |
| - | 10.1016/S0960-894X(01)81145-8 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81145-8 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80299-1 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine