Compound Detail
CHEMBL3417391
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CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3417391 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LZLUPDJWEUDTOU-YKPIBRNVSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1257.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Ki 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Apelin receptor CHEMBL1628481 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | Ki | = | 46.0 | nM | 7.34 | Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human... | 25668242 |
| Apelin receptor | IC50 | = | 57.0 | nM | 7.24 | Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human... | 25668242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25668242 | 10.1021/jm501916k | Apelin receptor | 2 |
Data from ChEMBL 36 via Core Engine