Compound Detail
CHEMBL71162
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Basic Information
| ChEMBL ID | CHEMBL71162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWWMGPCUZVOLLK-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
5.03
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.7
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 1.995 | nM | 8.7 | Potency of the Angiotensin II-induced contraction of rabbit aortic strips | - |
| Angiotensin II receptor | Kd | = | 1.995 | nM | 8.7 | Inhibition of angiotensin II-induced contractions in rabbit aorta in vitro. | 8576904 |
| Type-1 angiotensin II receptor | Kd | = | 1.995 | nM | 8.7 | Antagonist activity at angiotensin AT1 receptor in rabbit aorta | 21071232 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 52.0 | nM | 7.28 | Inhibitory activity against Angiotensin II receptor, type 1 in rat aortic membra... | 8576904 |
| Unchecked | IC50 | = | 52.0 | nM | 7.28 | Binding affinity to angiotensin AT1 receptor in rat adrenal cortical membranes | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81149-5 | Oryctolagus cuniculus | 1 |
| - | 10.1016/S0960-894X(01)81149-5 | Angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine