Compound Detail
CHEMBL332931
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
CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL332931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSFFUAFLXQLAQX-MHZLTWQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.70
ALogP
5
HBA
2
HBD
94.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.21 | nM | 9.68 | Inhibitory concentration against radioligand [125I]CCK-8 binding to gastrin/Chol... | 9022799 |
| Cholecystokinin receptor type A | IC50 | = | 89.0 | nM | 7.05 | Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/C... | 9022799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022799 | 10.1021/jm960669+ | Rattus norvegicus | 2 |
| 9022799 | 10.1021/jm960669+ | Gastrin/cholecystokinin type B receptor | 1 |
| 9022799 | 10.1021/jm960669+ | Cholecystokinin receptor type A | 1 |
| 9022799 | 10.1021/jm960669+ | Canis familiaris | 1 |
| 9022799 | 10.1021/jm960669+ | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine