Compound Detail
CHEMBL2392353
ANGIOTENSIN-II Enter ChEMBL ID:
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2392353 |
| Name | ANGIOTENSIN-II |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CUKWUWBLQQDQAC-VEQWQPCFSA-N |
4
Targets
6
Activities
4
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
970.1
MW (Da)
-2.33
ALogP
13
HBA
14
HBD
406.3
PSA (Ų)
0.03
QED
3
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.14
IC50 1 meas. best 9.68
Kd 1 meas. best 8.32
Ki 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 9.96 | 9.96 | 0.1 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.32 | 8.32 | 4.8 | 1 |
| Type-1 angiotensin II receptor A CHEMBL329 | EC50 | 8.14 | 7.98 | 7.3 | 2 |
| Type-1 angiotensin II receptor CHEMBL227 | EC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | Ki | = | 0.11 | nM | 9.96 | Binding affinity to human AT2 receptor by radioligand displacement assay | 23466604 |
| Type-2 angiotensin II receptor | IC50 | = | 0.21 | nM | 9.68 | Binding affinity to human AT2 receptor by radioligand displacement assay | 23466604 |
| Oryctolagus cuniculus | Kd | = | 4.786 | nM | 8.32 | Antagonist activity pA2, was measured in the in vitro rabbit aorta strip assay | 2724307 |
| Type-1 angiotensin II receptor A | EC50 | = | 7.3 | nM | 8.14 | Agonist activity at rat AT1aR expressed in HEK293 cells incubated for 30 mins by... | - |
| Type-1 angiotensin II receptor A | EC50 | = | 15.0 | nM | 7.82 | Agonist activity at rat AT1aR expressed in HEK293 cells incubated for 60 mins by... | - |
| Type-1 angiotensin II receptor | EC50 | = | 21.0 | nM | 7.68 | Agonist activity at human AT1R expressed in HEK293 cells incubated for 60 mins b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23466604 | 10.1016/j.ejmech.2013.01.044 | Type-2 angiotensin II receptor | 2 |
| 2724307 | 10.1021/jm00126a037 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine