Compound Detail
CHEMBL412917
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CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=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)N[C@@H](Cc1ccccc1)C(N)=O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL412917 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CZFUQQWFYLBPHH-NVGHRBPBSA-M |
| Parent Compound | CHEMBL1207511 |
| Active Moiety | CHEMBL1207511 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1090.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 0.46 | nM | 9.34 | Tested for the inhibition of [3H]pCCK-8 to Cholecystokinin type B receptor in gu... | - |
| Cholecystokinin receptor type A | Ki | = | 1100.0 | nM | 5.96 | Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type A recept... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80678-2 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80678-2 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine