Compound Detail
CHEMBL2391146
ANGIOTENSIN 🧪 Phase III
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🧪 Phase III
CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2391146 |
| Name | ANGIOTENSIN |
| Phase | Phase III |
| Structure Type | BOTH |
| InChI Key | JSQIKKVBLLHQSQ-AWJAZODESA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
1
Known Names
3
Indications
Molecular Properties
956.1
MW (Da)
-2.72
ALogP
13
HBA
14
HBD
406.3
PSA (Ų)
0.03
QED
3
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Chirality | Single Enantiomer |
Indications
Hypertension Kidney Diseases Kidney Failure, Chronic
Activity Summary
IC50 2 meas. best 9.89
Ki 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 9.89 | 9.315 | 0.1 | 2 |
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 0.13 | nM | 9.89 | Binding affinity to human angiotensin AT2 receptor by radioligand displacement a... | 23582449 |
| Type-2 angiotensin II receptor | Ki | = | 0.898 | nM | 9.05 | Receptor Binding Assay : 120 μL membrane (5 mg protein/well) was incubated w... | - |
| Type-2 angiotensin II receptor | IC50 | = | 1.8 | nM | 8.74 | Receptor Binding Assay : 120 μL membrane (5 mg protein/well) was incubated w... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23582449 | 10.1016/j.bmc.2013.03.016 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine