Compound Detail
CHEMBL4793361
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CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4793361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFURAPCVZMOPKL-XBJFMILWSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1262.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.35
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | EC50 | 8.35 | 7.5933 | 4.5 | 3 |
| Apelin receptor CHEMBL1628481 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | EC50 | = | 4.5 | nM | 8.35 | Agonist activity at human APJ receptor expressed in HEK293 cells co-expressing G... | 33350824 |
| Apelin receptor | Ki | = | 13.0 | nM | 7.89 | Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ rec... | 33350824 |
| Apelin receptor | EC50 | = | 30.0 | nM | 7.52 | Agonist activity at human APJ receptor expressed in HEK293T cells co-expressing ... | 33350824 |
| Apelin receptor | EC50 | = | 123.0 | nM | 6.91 | Agonist activity at human APJ receptor expressed in HEK293 cells co-expressing R... | 33350824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33350824 | 10.1021/acs.jmedchem.0c01547 | Apelin receptor | 4 |
Data from ChEMBL 36 via Core Engine