Compound Detail
CHEMBL436690
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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@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL436690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTBOSCPDDVWIOE-SAVBYNOOSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1139.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.14
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 72.0 | nM | 7.14 | In vitro binding affinity against Cholecystokinin type B receptor in guinea pig ... | - |
| Rattus norvegicus | EC50 | = | 700.0 | nM | 6.16 | The compound was tested for its ability to stimulate amylase secretion from rat ... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 6200.0 | nM | 5.21 | In vitro binding affinity against Cholecystokinin type B receptor of rat pancrea... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80679-4 | Gastrin/cholecystokinin type B receptor | 2 |
| - | 10.1016/S0960-894X(00)80679-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine