Compound Detail
CHEMBL46782
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Basic Information
| ChEMBL ID | CHEMBL46782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDBGBLYCWFBLDN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
7.10
ALogP
3
HBA
1
HBD
70.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 5.77 | 5.77 | 1700.0 | 2 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.4 | 5.4 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 1700.0 | nM | 5.77 | Binding affinity for Angiotensin II receptor, type 1 measured by ability to disp... | 8230127 |
| Type-1 angiotensin II receptor B | IC50 | = | 1700.0 | nM | 5.77 | In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver memb... | - |
| Oryctolagus cuniculus | IC50 | = | 4000.0 | nM | 5.4 | Antagonistic activity through inhibition of A II induced contractions on rabbit ... | 8230127 |
| Oryctolagus cuniculus | IC50 | = | 4000.0 | nM | 5.4 | Antagonism of the AII induced contraction of rabbit aortic tissue in a functiona... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230127 | 10.1021/jm00074a018 | Type-1 angiotensin II receptor B | 1 |
| 8230127 | 10.1021/jm00074a018 | Oryctolagus cuniculus | 1 |
| - | 10.1016/S0960-894X(01)81140-9 | Type-1 angiotensin II receptor B | 1 |
| - | 10.1016/S0960-894X(01)81140-9 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine