Compound Detail
CHEMBL2310858
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CCCC1CCN([C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(N)=O)[C@H]1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(=O)(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL2310858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIOFZBXVGACHJB-JXBJRDHYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1029.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.9 | nM | 9.05 | Evaluated in vitro for its binding affinity towards cholecystokinin type B recep... | 1501220 |
| Cholecystokinin receptor type A | IC50 | = | 7.3 | nM | 8.14 | Evaluated in vitro for its binding affinity towards cholecystokinin type A recep... | 1501220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1501220 | 10.1021/jm00094a001 | Cholecystokinin receptor | 2 |
| 1501220 | 10.1021/jm00094a001 | Cholecystokinin receptor type A | 1 |
| 1501220 | 10.1021/jm00094a001 | Gastrin/cholecystokinin type B receptor | 1 |
| 1501220 | 10.1021/jm00094a001 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine