Compound Detail
CHEMBL345880
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Basic Information
| ChEMBL ID | CHEMBL345880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTGBKAHCXKZZPK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.50
ALogP
6
HBA
3
HBD
102.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 105.0 | nM | 6.98 | Binding affinity towards Cholecystokinin type A receptor from rat pancreas using... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00557-A | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/0960-894X(95)00557-A | Cholecystokinin receptor type A | 1 |
| - | 10.1016/0960-894X(95)00557-A | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine