Compound Detail
CHEMBL4475293
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CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4475293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVHLRICDLYXNSF-RZQIEMFVSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1597.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.32
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | Ki | = | 3.05 | nM | 8.52 | Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK... | 30543423 |
| Growth hormone secretagogue receptor type 1 | EC50 | = | 48.0 | nM | 7.32 | Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells as... | 30543423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30543423 | 10.1021/acs.jmedchem.8b01644 | Growth hormone secretagogue receptor type 1 | 4 |
Data from ChEMBL 36 via Core Engine