Compound Detail
CHEMBL504776
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CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL504776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVGKYAQPKNHVQM-RJKLHVOGSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3369.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.38
EC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
| HEK293 CHEMBL614818 | EC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | IC50 | = | 0.42 | nM | 9.38 | Binding affinity to cloned human growth hormone secretagogue receptor type 1 in ... | 11087562 |
| HEK293 | EC50 | = | 31.0 | nM | 7.51 | Effective dose measuring intracellular calcium elevation in HEK293 cells | 11087562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087562 | 10.1021/jm0001727 | HEK293 | 2 |
| 11087562 | 10.1021/jm0001727 | Growth hormone secretagogue receptor type 1 | 1 |
| 19323558 | 10.1021/jm8014519 | Growth hormone secretagogue receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine