Compound Detail
CHEMBL171722
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Basic Information
| ChEMBL ID | CHEMBL171722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRULKSIEDTYWQA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.55
ALogP
3
HBA
3
HBD
98.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.66 | 5.63 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 940.0 | nM | 6.03 | Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type A receptor... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 2200.0 | nM | 5.66 | Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 2500.0 | nM | 5.6 | Ability to inhibit the binding of [125I]-gastrin to gastric glands in guinea pig... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80683-6 | Gastrin/cholecystokinin type B receptor | 2 |
| - | 10.1016/S0960-894X(00)80683-6 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine