Compound Detail
CHEMBL9171
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Basic Information
| ChEMBL ID | CHEMBL9171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFKPZASAGAUWSC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.91
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 63.0 | nM | 7.2 | Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mou... | 9544204 |
| Cholecystokinin receptor type A | IC50 | = | 4900.0 | nM | 5.31 | Binding affinity towards Cholecystokinin type A receptor (CCK-A) receptor from r... | 9544204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544204 | 10.1021/jm970373j | Gastrin/cholecystokinin type B receptor | 1 |
| 9544204 | 10.1021/jm970373j | Cholecystokinin receptor type A | 1 |
| 9544204 | 10.1021/jm970373j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine