Compound Detail
CHEMBL217767
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CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@@H](Cc1ccc(CS(=O)(=O)[O-])cc1)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL217767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICPJJEDZYXMUIH-YVBXOHQISA-M |
| Parent Compound | CHEMBL1206132 |
| Active Moiety | CHEMBL1206132 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1032.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.8
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 8.8 | 8.285 | 1.6 | 2 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 7.8 | 7.76 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 1.6 | nM | 8.8 | The compound was tested for the agonistic activity of amylase secretion by Guine... | 2464062 |
| Cholecystokinin receptor type A | Ki | = | 16.0 | nM | 7.8 | The compound was tested for the inhibition of [3H]propionyl specific binding to ... | 2464062 |
| Cavia porcellus | EC50 | = | 17.0 | nM | 7.77 | The compound was tested for the agonistic activity of contractile activities of ... | 2464062 |
| Cholecystokinin receptor type A | Ki | = | 19.0 | nM | 7.72 | The compound was tested for the inhibition of [3H]propionyl specific binding to ... | 2464062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2464062 | 10.1021/jm00122a026 | Cholecystokinin receptor type A | 2 |
| 2464062 | 10.1021/jm00122a026 | Cavia porcellus | 2 |
Data from ChEMBL 36 via Core Engine