Compound Detail
CHEMBL408389
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CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](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](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL408389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGJCMCCPAYOLOE-ZLRGZLRMSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1260.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.19
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 8.19 | 8.19 | 6.4 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | Ki | 6.7 | 6.7 | 198.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 6.4 | nM | 8.19 | Binding affinity against cholecystokinin type B receptor on guinea pig cortex. | 11020275 |
| Gastrin/cholecystokinin type B receptor | EC50 | = | 17.0 | nM | 7.77 | Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat b... | 11020275 |
| Gastrin/cholecystokinin type B receptor | Ki | = | 198.0 | nM | 6.7 | Compound was tested for binding affinity against Cholecystokinin type B receptor... | 11020275 |
| Cholecystokinin receptor type A | Ki | = | 2900.0 | nM | 5.54 | 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