Compound Detail
CHEMBL413186
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CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=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)CCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL413186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZNVLWNQTMXRBR-QJYIQOTESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1063.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1100.0 | nM | 5.96 | In vitro binding affinity against Cholecystokinin type B receptor of rat pancrea... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1800.0 | nM | 5.75 | In vitro binding affinity against Cholecystokinin type B receptor in guinea pig ... | - |
| Rattus norvegicus | IC50 | = | 26000.0 | nM | 4.58 | Antagonist activity against amylase secretion from rat pancreatic acini | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80679-4 | Gastrin/cholecystokinin type B receptor | 2 |
| - | 10.1016/S0960-894X(00)80679-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine