Compound Detail
CHEMBL266598
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Basic Information
| ChEMBL ID | CHEMBL266598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMVWXYXYSBRGFH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
521.4
MW (Da)
5.30
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 6.23 | 6.23 | 585.0 | 2 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.79 | 5.79 | 1630.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 585.0 | nM | 6.23 | Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mou... | 9544204 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 585.0 | nM | 6.23 | Inhibition of [125 I]CCK-8 binding to Cholecystokinin type B receptor of mouse c... | - |
| Cholecystokinin receptor type A | IC50 | = | 1630.0 | nM | 5.79 | Binding affinity towards Cholecystokinin type A receptor (CCK-A) receptor from r... | 9544204 |
| Cholecystokinin receptor type A | IC50 | = | 1630.0 | nM | 5.79 | Inhibition of specific binding of [125 I] Bolton Hunter CCK-8 to Cholecystokinin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544204 | 10.1021/jm970373j | Gastrin/cholecystokinin type B receptor | 1 |
| 9544204 | 10.1021/jm970373j | Cholecystokinin receptor type A | 1 |
| 9544204 | 10.1021/jm970373j | Unchecked | 1 |
| - | 10.1016/S0960-894X(97)00108-X | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(97)00108-X | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine