Compound Detail
CHEMBL414180
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CCCC[C@H](NC(=O)[C@H](Cc1ccc(S(=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](CCCOc1ccccc1)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL414180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWCIEGCNXSWALH-KHSZCUONSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1020.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic alpha-amylase CHEMBL2045 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.76 | 5.755 | 1750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic alpha-amylase | IC50 | = | 1.0 | nM | 9.0 | Tested in vitro for inhibition of amylase release from rat pancreatic acini | 7692048 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 18.0 | nM | 7.75 | Inhibition of [125I]BH-CCK- binding to peripheral cholecystokinin type B recepto... | 7692048 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1750.0 | nM | 5.76 | Inhibition of [125I]BH-CCK- binding to cholecystokinin type B receptor from guin... | 7692048 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of [125I]BH-CCK- binding to cholecystokinin type B receptor from jurk... | 7692048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7692048 | 10.1021/jm00072a024 | Gastrin/cholecystokinin type B receptor | 3 |
| 7692048 | 10.1021/jm00072a024 | Pancreatic alpha-amylase | 2 |
Data from ChEMBL 36 via Core Engine