Compound Detail
CHEMBL333459
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Basic Information
| ChEMBL ID | CHEMBL333459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPFNWYVWLUHPGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.26
ALogP
3
HBA
2
HBD
70.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.66 | 7.66 | 21.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 21.88 | nM | 7.66 | Binding affinity against cholecystokinin type A receptor of rat pancreas | 7932591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932591 | 10.1021/jm00047a021 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine