Compound Detail
CHEMBL1159905
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CCCC[C@@H](CN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL1159905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSIXSVTVZDJDOC-XLAHBAAGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1096.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2096986 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of rat pancreat... | 2441054 |
| Cholecystokinin receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig b... | 2441054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2441054 | 10.1021/jm00391a017 | Cholecystokinin receptor | 2 |
| 2441054 | 10.1021/jm00391a017 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine