Compound Detail
CHEMBL444847
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CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL444847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUHBJSYSJYOUJS-MUUNZHRXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.7
MW (Da)
6.20
ALogP
2
HBA
3
HBD
81.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 51.0 | nM | 7.29 | Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A recept... | 1766000 |
| Cavia porcellus | IC50 | = | 670.0 | nM | 6.17 | Inhibition of CCK-8-stimulated amylase release | 1766000 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type B recept... | 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