Compound Detail
CHEMBL12909
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Basic Information
| ChEMBL ID | CHEMBL12909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLXMXFXXYBNHJV-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
4.86
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Kd 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | Kd | 8.5 | 8.5 | 3.2 | 1 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.5 | 8.5 | 3.2 | 1 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 3.162 | nM | 8.5 | Antagonism of AII-contracted rabbit aortic rings | - |
| Type-1 angiotensin II receptor | Kd | = | 3.162 | nM | 8.5 | Antagonist activity at angiotensin AT1 receptor | 21071232 |
| Angiotensin II receptor | IC50 | = | 16.0 | nM | 7.8 | Inhibition of [125I]- AII binding to rat uterine membrane angiotensin II recepto... | - |
| Type-1 angiotensin II receptor | IC50 | = | 16.0 | nM | 7.8 | Binding affinity to angiotensin AT1 receptor | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 2 |
| - | 10.1016/S0960-894X(01)81130-6 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81130-6 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine