Compound Detail
CHEMBL115456
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CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL115456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHLFQSQXXBNXJD-LJAQVGFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.7
MW (Da)
6.27
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 1130.0 | nM | 5.95 | Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A recept... | 1766000 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 7400.0 | nM | 5.13 | 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