Compound Detail
CHEMBL324022
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CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1cnc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL324022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHSZJVQHKYABCK-GDLZYMKVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
514.7
MW (Da)
5.97
ALogP
4
HBA
3
HBD
98.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 11.0 | nM | 7.96 | Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A recept... | 1766000 |
| Cavia porcellus | IC50 | = | 27.0 | nM | 7.57 | Inhibition of CCK-8-stimulated amylase release | 1766000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1766000 | 10.1021/jm00116a002 | Cholecystokinin receptor type A | 1 |
| 1766000 | 10.1021/jm00116a002 | Gastrin/cholecystokinin type B receptor | 1 |
| 1766000 | 10.1021/jm00116a002 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine