Compound Detail
CHEMBL48563
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
Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL48563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGNSCLPBNHJBDO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
602.1
MW (Da)
5.77
ALogP
4
HBA
2
HBD
94.1
PSA (Ų)
0.39
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of [125I]Cholecystokinin-8 binding to Cholecystokinin type B receptor... | - |
| Cholecystokinin receptor type A | IC50 | = | 7.4 | nM | 8.13 | Inhibition of [125I]Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin ty... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00609-9 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(96)00609-9 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(96)00609-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine