Compound Detail
CHEMBL4076652
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C=CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4076652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOKXQCOECRTWAZ-SVENNQHVSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1459.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.0
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL1628481 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Apelin receptor CHEMBL1628481 | EC50 | 9.0 | 8.19 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | Ki | = | 0.3 | nM | 9.52 | Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ r... | 29461833 |
| Apelin receptor | EC50 | = | 1.0 | nM | 9.0 | Activity at human APJ receptor expressed in HEK293 cells assessed as dissociatio... | 29461833 |
| Apelin receptor | EC50 | = | 42.0 | nM | 7.38 | Activity at GFP10-tagged human APJ receptor expressed in HEK293 cells assessed a... | 29461833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29461833 | 10.1021/acs.jmedchem.7b01353 | Apelin receptor | 3 |
Data from ChEMBL 36 via Core Engine