Compound Detail
CHEMBL2112753
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Basic Information
| ChEMBL ID | CHEMBL2112753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBJHXAATJXWCAB-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.35
ALogP
4
HBA
3
HBD
94.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.83 | 7.83 | 14.7 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 14.7 | nM | 7.83 | Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor | 8277510 |
| Cholecystokinin receptor type A | IC50 | = | 60.0 | nM | 7.22 | Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat p... | 8277510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277510 | 10.1021/jm00078a018 | Gastrin/cholecystokinin type B receptor | 1 |
| 8277510 | 10.1021/jm00078a018 | Cholecystokinin receptor type A | 1 |
| 8277510 | 10.1021/jm00078a018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine