Compound Detail
CHEMBL216677
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CCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)CC(NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(=O)(=O)O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CN)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL216677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLMAOBLWXNBDMB-LXNYBZNESA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1246.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
Ki 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Cholecystokinin receptor CHEMBL2111334 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 80.0 | nM | 7.1 | Evaluated for agonist activity measured as amylase secretion by rat pancreas | 2438407 |
| Cholecystokinin receptor | Ki | = | 120.0 | nM | 6.92 | Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific bindi... | 2438407 |
| Cholecystokinin receptor type A | Ki | = | 1500.0 | nM | 5.82 | Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 ... | 2438407 |
| Cavia porcellus | EC50 | = | 30000.0 | nM | 4.52 | 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