Compound Detail
CHEMBL217236
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CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL217236 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XWUZHFGATNPWCQ-VLOLPVCOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1163.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2095185 | EC50 | 9.05 | 9.05 | 0.9 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor | EC50 | = | 0.9 | nM | 9.05 | In vitro smooth muscle contraction activity in guinea pig ileum consists of two ... | 1495013 |
| Cholecystokinin receptor type A | EC50 | = | 2.0 | nM | 8.7 | In vitro smooth muscle contraction activity in guinea pig gall bladder cholecyst... | 1495013 |
| Gastrin/cholecystokinin type B receptor | EC50 | = | 9.0 | nM | 8.05 | In vitro smooth muscle contraction activity in guinea pig stomach consisting of ... | 1495013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1495013 | 10.1021/jm00093a013 | Cavia porcellus | 3 |
| 1495013 | 10.1021/jm00093a013 | Cholecystokinin receptor type A | 1 |
| 1495013 | 10.1021/jm00093a013 | Cholecystokinin receptor | 1 |
| 1495013 | 10.1021/jm00093a013 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine