Compound Detail
CHEMBL404996
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CCSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)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 | CHEMBL404996 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JLSQGNNQLJACBA-MDKUUQCZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1068.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 9.21 | 9.21 | 0.6 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | Ki | = | 0.62 | nM | 9.21 | Binding affinity for Angiotensin II receptor type 2 using [125I]- Ang II in pig ... | 14761188 |
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 44.0 | nM | 7.36 | Binding affinity for angiotensin II receptor type 1 using [125I]- Ang II in rat ... | 14761188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761188 | 10.1021/jm030921v | Angiotensin II receptor (AT-1) type-1 | 1 |
| 14761188 | 10.1021/jm030921v | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine