Compound Detail
CHEMBL354802
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
CN1C(=O)[C@H](NC(=O)Nc2cc3c4ccccc4nc-3c[nH]2)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL354802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUJSQBYCMPEUIG-SANMLTNESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
4.63
ALogP
4
HBA
3
HBD
102.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.57 | 6.485 | 270.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 89.0 | nM | 7.05 | Tested for its activity to inhibit the binding of [125I]CCK-33 to Cholecystokini... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 270.0 | nM | 6.57 | Tested for its activity to inhibit the binding of [125I]CCK-33 to Cholecystokini... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 400.0 | nM | 6.4 | Tested for its activity to inhibit the binding of [125I]gastrin to gastric gland... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80682-4 | Gastrin/cholecystokinin type B receptor | 2 |
| - | 10.1016/S0960-894X(00)80682-4 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine