Compound Detail
CHEMBL47810
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Basic Information
| ChEMBL ID | CHEMBL47810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUZVDXABWUOABD-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
5.80
ALogP
5
HBA
1
HBD
87.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 9.11 | 8.93 | 0.8 | 3 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.34 | 7.86 | 4.6 | 3 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 0.77 | nM | 9.11 | Antagonism of the AII induced contraction of rabbit aortic tissue in a functiona... | - |
| Oryctolagus cuniculus | IC50 | = | 0.77 | nM | 9.11 | Inhibitory activity against contractile response to angiotensin II (10 nM) of ra... | - |
| Oryctolagus cuniculus | IC50 | = | 2.7 | nM | 8.57 | Antagonism of the AII induced contraction of rabbit aortic tissue in a functiona... | - |
| Type-1 angiotensin II receptor B | IC50 | = | 4.6 | nM | 8.34 | In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver memb... | - |
| Type-1 angiotensin II receptor B | IC50 | = | 5.2 | nM | 8.28 | In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver memb... | - |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 5.2 | nM | 8.28 | Binding affinity towards Angiotensin II receptor, type 1 in rat liver membrane u... | - |
| Type-1 angiotensin II receptor B | IC50 | = | 110.0 | nM | 6.96 | In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver memb... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81140-9 | Monkey | 7 |
| - | 10.1016/S0960-894X(01)81140-9 | Type-1 angiotensin II receptor B | 3 |
| - | 10.1016/S0960-894X(01)81140-9 | Oryctolagus cuniculus | 3 |
| - | 10.1016/S0960-894X(01)81120-3 | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/S0960-894X(01)81120-3 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine