Compound Detail
CHEMBL1160501
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CCCC[C@@H](NC(=O)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL1160501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRYOMNSPKSJSKG-OGPDVSBDSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1207.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
EC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Cholecystokinin receptor CHEMBL2096986 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor | IC50 | = | 2.0 | nM | 8.7 | Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin ... | 2477546 |
| Rattus norvegicus | EC50 | = | 6.0 | nM | 8.22 | Ability of compound to stimulate in vitro amylase release from rat pancreatic ac... | 2477546 |
| Cholecystokinin receptor | IC50 | = | 500.0 | nM | 6.3 | Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin ... | 2477546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2477546 | 10.1021/jm00130a018 | Cholecystokinin receptor | 2 |
| 2477546 | 10.1021/jm00130a018 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine