Compound Detail
CHEMBL296725
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Basic Information
| ChEMBL ID | CHEMBL296725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYUMNDVYHILLEX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.59
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 1.0 | nM | 9.0 | Binding affinity towards Angiotensin receptor from rabbit aorta | 1895308 |
| Type-1 angiotensin II receptor | IC50 | = | 1.0 | nM | 9.0 | In vitro binding affinity towards Angiotensin II type 1-AT1 receptor determined ... | - |
| Type-1 angiotensin II receptor B | IC50 | = | 1.0 | nM | 9.0 | Binding affinity for rat angiotensin II receptor, type 1 | 15115399 |
| Type-1 angiotensin II receptor | IC50 | = | 1.0 | nM | 9.0 | In vitro binding affinity determined by its ability to displace the specific bin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1895308 | 10.1021/jm00113a035 | Angiotensin II receptor | 1 |
| 1895308 | 10.1021/jm00113a035 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80044-X | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80044-X | Type-2 angiotensin II receptor | 1 |
| 15115399 | 10.1021/jm031100t | Type-1 angiotensin II receptor B | 1 |
| - | 10.1016/S0960-894X(01)81115-X | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81115-X | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine