Compound Detail
CHEMBL309017
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Basic Information
| ChEMBL ID | CHEMBL309017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKVDDRUPSUWQNR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.39
ALogP
3
HBA
2
HBD
70.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.8 | 5.8 | 1584.9 | 2 |
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 1584.89 | nM | 5.8 | Binding affinity against cholecystokinin type A receptor of rat pancreas | 7932591 |
| Cholecystokinin receptor type A | IC50 | = | 1600.0 | nM | 5.8 | Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor fr... | 2848124 |
| Cholecystokinin receptor | IC50 | = | 12000.0 | nM | 4.92 | Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor f... | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 29000.0 | nM | 4.54 | Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands | 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