Compound Detail
CHEMBL352949
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 | CHEMBL352949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMUQHXHWJWQXSD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.3
MW (Da)
4.85
ALogP
2
HBA
2
HBD
61.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 31.0 | nM | 7.51 | The compound was tested for its activity to inhibit the binding of [125I]CCK-8 t... | - |
| Cholecystokinin receptor type A | IC50 | = | 11600.0 | nM | 4.94 | The compound was tested for its activity to inhibit the binding of [3H]-L-364,71... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80684-8 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80684-8 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine