Compound Detail
CHEMBL70883
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CCOC(=O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2F)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL70883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATZKJWWUDVCPPQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
3.81
ALogP
5
HBA
2
HBD
103.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 3.0 | nM | 8.52 | Half-maximal inhibition of [125I]CCK-8 binding to cholecystokinin receptor from ... | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 120.0 | nM | 6.92 | Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands | 2848124 |
| Cholecystokinin receptor | IC50 | = | 200.0 | nM | 6.7 | Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor f... | 2848124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor type A | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine