Compound Detail
CHEMBL2371662
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CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2371662 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CYXSAGYUUKYMRJ-UAMUGELBSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1278.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.4
Ki 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Cholecystokinin receptor CHEMBL2111334 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 40.0 | nM | 7.4 | Evaluated for agonist activity measured as amylase secretion by rat pancreas | 2438407 |
| Cholecystokinin receptor | Ki | = | 300.0 | nM | 6.52 | Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific bindi... | 2438407 |
| Cholecystokinin receptor type A | Ki | = | 340.0 | nM | 6.47 | Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 ... | 2438407 |
| Cavia porcellus | EC50 | = | 15000.0 | nM | 4.82 | Evaluated for contractile activities of guinea pig ileum for antagonistic activi... | 2438407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2438407 | 10.1021/jm00389a002 | Cavia porcellus | 2 |
| 2438407 | 10.1021/jm00389a002 | Cholecystokinin receptor | 1 |
| 2438407 | 10.1021/jm00389a002 | Cholecystokinin receptor type A | 1 |
| 2438407 | 10.1021/jm00389a002 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine