Compound Detail
CHEMBL2310888
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CCCCCCCC(=O)OC[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](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(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](CCCN=C(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(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2310888 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BXXNKYLVHRSGAM-XRHOXCPTSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2747.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.82
IC50 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| HEK293 CHEMBL614818 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | IC50 | = | 0.16 | nM | 9.8 | Binding affinity to cloned human growth hormone secretagogue receptor type 1 in ... | 11087562 |
| HEK293 | EC50 | = | 15.0 | nM | 7.82 | 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 |
Data from ChEMBL 36 via Core Engine