Compound Detail
CHEMBL4764067
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CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)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](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4764067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTANYACIHNQWJA-HESOAQJPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2102.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apelin receptor CHEMBL2398 | IC50 | 9.66 | 9.66 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apelin receptor | IC50 | = | 0.2188 | nM | 9.66 | Displacement of [125I]-pyr-1-apelin-13 from EGFP-tagged wild-type rat apelin rec... | 33001648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33001648 | 10.1021/acs.jmedchem.0c01395 | Apelin receptor | 1 |
Data from ChEMBL 36 via Core Engine