Compound Detail
CHEMBL2370122
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CSCC[C@@H](NC(=O)[C@H](Cc1ccc(OS(=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)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2370122 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RAGVOFDQBXZYNT-ZDEACVEBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1070.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL2720 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 0.6 | nM | 9.22 | Inhibition of [3H]propanoyl binding to cholecystokinin type A receptor was deter... | 2002454 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 4.4 | nM | 8.36 | Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype ... | 2002454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2002454 | 10.1021/jm00107a037 | Rattus norvegicus | 7 |
| 2002454 | 10.1021/jm00107a037 | Cholecystokinin receptor type A | 1 |
| 2002454 | 10.1021/jm00107a037 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine