Compound Detail
CHEMBL73621
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 | CHEMBL73621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAYUQXRGJMLMAM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.9
MW (Da)
3.50
ALogP
4
HBA
2
HBD
99.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 32.0 | nM | 7.5 | Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor fr... | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 8200.0 | nM | 5.09 | Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands | 2848124 |
| Cholecystokinin receptor | IC50 | = | 21000.0 | nM | 4.68 | Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor f... | 2848124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor type A | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine