Compound Detail
CHEMBL317081
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 | CHEMBL317081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCDOIEFGQMXOBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
5.07
ALogP
3
HBA
2
HBD
81.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | Ki | 8.05 | 8.05 | 8.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | Ki | = | 8.913 | nM | 8.05 | Binding affinity was measured by its ability to displace [3H]CCK-8S from CCK-A r... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00528-2 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/0960-894X(95)00528-2 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/0960-894X(95)00528-2 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine