Compound Detail
CHEMBL216166
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)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 | CHEMBL216166 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OIXQINQYMGNCII-YRVFCXMDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1063.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 8.98 | 8.98 | 1.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 1.04 | nM | 8.98 | Inhibition of [3H]pCCK-8 specific binding to cholecystokinin type A receptor in ... | 11405658 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 5.6 | nM | 8.25 | Inhibition of [3H]pCCK-8 specific binding cholecystokinin type B receptor in rat... | 11405658 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 170.0 | nM | 6.77 | Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pi... | 1700123 |
| Cholecystokinin receptor type A | IC50 | = | 190.0 | nM | 6.72 | Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pi... | 1700123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1700123 | 10.1021/jm00173a006 | Cholecystokinin receptor type A | 1 |
| 1700123 | 10.1021/jm00173a006 | Gastrin/cholecystokinin type B receptor | 1 |
| 11405658 | 10.1021/jm010813d | Cholecystokinin receptor type A | 1 |
| 11405658 | 10.1021/jm010813d | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine