Compound Detail
CHEMBL216061
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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](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL216061 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WCYZYYURIHACQW-KOTWUFNXSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1002.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.8
IC50 1 meas. best 8.89
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 9.74 | 9.74 | 0.2 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 0.16 | nM | 9.8 | Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using... | 16220978 |
| Type-2 angiotensin II receptor | Ki | = | 0.18 | nM | 9.74 | Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium us... | 16220978 |
| Type-2 angiotensin II receptor | IC50 | = | 1.3 | nM | 8.89 | In vitro inhibition of [125I]AII specific binding towards Angiotensin II recepto... | 2016730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2724307 | 10.1021/jm00126a037 | Angiotensin II receptor | 2 |
| 1920354 | 10.1021/jm00114a012 | Angiotensin II receptor | 2 |
| 2016730 | 10.1021/jm00108a043 | Type-2 angiotensin II receptor | 1 |
| 2016730 | 10.1021/jm00108a043 | Angiotensin II receptor | 1 |
| 2724307 | 10.1021/jm00126a037 | Oryctolagus cuniculus | 1 |
| 8464045 | 10.1021/jm00059a016 | Angiotensin II receptor | 1 |
| 16220978 | 10.1021/jm050280z | Type-1 angiotensin II receptor B | 1 |
| 16220978 | 10.1021/jm050280z | Type-2 angiotensin II receptor | 1 |
| 490561 | 10.1021/jm00195a025 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine