Compound Detail
CHEMBL315022
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Basic Information
| ChEMBL ID | CHEMBL315022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPRWTMFBVBRNJE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.25
ALogP
7
HBA
1
HBD
98.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.17
Kd 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 6.8 | nM | 8.17 | Tested in vitro for inhibition of [125I]AII to rat uterine membranes | - |
| Type-1 angiotensin II receptor B | IC50 | = | 6.8 | nM | 8.17 | Binding affinity for rat angiotensin II receptor, type 1 | 15115399 |
| Oryctolagus cuniculus | Kd | = | 10.0 | nM | 8.0 | Evaluated for antagonism of AII contracted rabbit aortic rings | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81129-X | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81129-X | Oryctolagus cuniculus | 1 |
| 15115399 | 10.1021/jm031100t | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine