Compound Detail
CHEMBL273693
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL273693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUEXCKPCPBQTBU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
507.4
MW (Da)
5.26
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.37
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 6.86 | 6.855 | 137.0 | 2 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.01 | 6.01 | 980.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 1300.0 | nM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 137.0 | nM | 6.86 | Inhibition of [125 I]CCK-8 binding to Cholecystokinin type B receptor of mouse c... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 140.0 | nM | 6.85 | Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mou... | 9544204 |
| Cholecystokinin receptor type A | IC50 | = | 980.0 | nM | 6.01 | Binding affinity towards Cholecystokinin type A receptor (CCK-A) receptor from r... | 9544204 |
| Cholecystokinin receptor type A | IC50 | = | 984.0 | nM | 6.01 | Inhibition of specific binding of [125 I] Bolton Hunter CCK-8 to Cholecystokinin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00108-X | Gastrin/cholecystokinin type B receptor | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine