Compound Detail
CHEMBL407530
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CSCC[C@H](NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL407530 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BSPMORCHLADYIU-SKGSPYGFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1036.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL2720 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 8.3 | nM | 8.08 | Concentration inhibiting [3H]propionyl-CCK-8 binding to cholecystokinin type A r... | 1433225 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 3900.0 | nM | 5.41 | Concentration inhibiting [3H]propionyl-CCK-8 binding to cholecystokinin type B r... | 1433225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433225 | 10.1021/jm00100a033 | Rattus norvegicus | 4 |
| 1433225 | 10.1021/jm00100a033 | Cholecystokinin receptor type A | 1 |
| 1433225 | 10.1021/jm00100a033 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine