Compound Detail
CHEMBL311061
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Basic Information
| ChEMBL ID | CHEMBL311061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMUBIYUMHFIWON-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
3.74
ALogP
4
HBA
2
HBD
77.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 8.9 | 8.895 | 1.2 | 2 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 8.0 | 7.99 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1.25 | nM | 8.9 | Binding activity against Cholecystokinin type B receptor from guinea pig cortex ... | 8145219 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1.3 | nM | 8.89 | Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig ... | 9258356 |
| Cholecystokinin receptor type A | IC50 | = | 10.0 | nM | 8.0 | Inhibition of ligand binding to Cholecystokinin type A receptor from rat pancrea... | 9258356 |
| Cholecystokinin receptor type A | IC50 | = | 10.4 | nM | 7.98 | Binding activity against Cholecystokinin type A receptor from rat pancreas using... | 8145219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8145219 | 10.1021/jm00032a002 | Cholecystokinin receptor type A | 1 |
| 8145219 | 10.1021/jm00032a002 | Gastrin/cholecystokinin type B receptor | 1 |
| 9258356 | 10.1021/jm9608523 | Gastrin/cholecystokinin type B receptor | 1 |
| 9258356 | 10.1021/jm9608523 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine