Compound Detail
CHEMBL411733
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NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)N2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL411733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWZYDGNGSXZELD-IWLMWFOOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1046.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Ki 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 6.12 | 6.12 | 750.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 750.0 | nM | 6.12 | In vitro binding affinity against Angiotensin II receptor, type 1 from rat liver... | 10579816 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 800.0 | nM | 6.1 | In vitro inhibitory activity against rat Angiotensin II receptor, type 1 express... | 10579816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579816 | 10.1021/jm991089q | Angiotensin II receptor (AT-1) type-1 | 2 |
Data from ChEMBL 36 via Core Engine