Compound Detail
CHEMBL56944
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Basic Information
| ChEMBL ID | CHEMBL56944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHNITXIZGXJEII-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
4.10
ALogP
3
HBA
2
HBD
73.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.57 | 7.57 | 27.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 16.0 | nM | 7.8 | In vitro test for inhibition of [125I]CCK binding to Cholecystokinin type B rece... | - |
| Cholecystokinin receptor type A | IC50 | = | 27.1 | nM | 7.57 | In vitro test for inhibition of [125I]CCK binding to Cholecystokinin type A rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80987-2 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(01)80987-2 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine