Compound Detail
CHEMBL72428
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Basic Information
| ChEMBL ID | CHEMBL72428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBUXURPFXJQWFU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.9
MW (Da)
3.49
ALogP
4
HBA
2
HBD
87.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 9.05 | 8.55 | 0.9 | 2 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 0.8913 | nM | 9.05 | Binding affinity against cholecystokinin type A receptor of rat pancreas | 7932591 |
| Cholecystokinin receptor type A | IC50 | = | 9.0 | nM | 8.05 | Half-maximal inhibition of [125I]CCK-8 binding to cholecystokinin receptor from ... | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1900.0 | nM | 5.72 | Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands | 2848124 |
| Cholecystokinin receptor | IC50 | = | 2400.0 | nM | 5.62 | Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor f... | 2848124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932591 | 10.1021/jm00047a021 | Cholecystokinin receptor type A | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor type A | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine