Compound Detail
CHEMBL411271
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CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL411271 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ADFBVAUNEXEYJP-KHVQSSSXSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1106.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.82
EC50 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | Ki | 9.51 | 9.51 | 0.3 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | EC50 | 8.47 | 8.47 | 3.4 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 0.15 | nM | 9.82 | Binding affinity against cholecystokinin type B receptor on guinea pig cortex. | 11020275 |
| Gastrin/cholecystokinin type B receptor | Ki | = | 0.31 | nM | 9.51 | Compound was tested for binding affinity against Cholecystokinin type B receptor... | 11020275 |
| Gastrin/cholecystokinin type B receptor | EC50 | = | 3.4 | nM | 8.47 | Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat b... | 11020275 |
| Cholecystokinin receptor type A | Ki | = | 96.0 | nM | 7.02 | Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membra... | 11020275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020275 | 10.1021/jm0000416 | Gastrin/cholecystokinin type B receptor | 3 |
| 11020275 | 10.1021/jm0000416 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine