Compound Detail
CHEMBL169931
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Basic Information
| ChEMBL ID | CHEMBL169931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDKASJPGQAISEW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.25
ALogP
4
HBA
3
HBD
108.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.51 | 5.29 | 3100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 2100.0 | nM | 5.68 | Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type A receptor... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 3100.0 | nM | 5.51 | Ability to inhibit the binding of [125I]-gastrin to gastric glands in guinea pig... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 8600.0 | nM | 5.07 | Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor... | - |
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