Compound Detail
CHEMBL50986
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Basic Information
| ChEMBL ID | CHEMBL50986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCDGJIPNGMWDBD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
436.4
MW (Da)
4.17
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 0.9 | nM | 9.05 | Displacement of [125I]CCK from Cholecystokinin receptor of rat pancreas | 3336017 |
| Unchecked | IC50 | = | 53.0 | nM | 7.28 | Displacement of [125I]CCK from Cholecystokinin receptor of guinea pig brain | 3336017 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 65.0 | nM | 7.19 | Displacement of [125I]gastrin from guinea pig gastric glands | 3336017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3336017 | 10.1021/jm00396a028 | Mus musculus | 2 |
| 3336017 | 10.1021/jm00396a028 | Cholecystokinin receptor type A | 1 |
| 3336017 | 10.1021/jm00396a028 | Unchecked | 1 |
| 3336017 | 10.1021/jm00396a028 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine