Compound Detail
CHEMBL437661
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CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL437661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYGITTKALAXEFT-XDPRFSKJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1194.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.72 | 5.72 | 1890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 4.7 | nM | 8.33 | Displacement of 0.2 nM [3H]pCCK-8 from guinea pig brain membranes | 2724293 |
| Cholecystokinin receptor type A | Ki | = | 1890.0 | nM | 5.72 | Displacement of 0.1 nM [3H]pCCK-8 from guinea pig pancreatic membranes | 2724293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2724293 | 10.1021/jm00126a007 | Gastrin/cholecystokinin type B receptor | 1 |
| 2724293 | 10.1021/jm00126a007 | Cholecystokinin receptor type A | 1 |
| 2724293 | 10.1021/jm00126a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine