Compound Detail
CHEMBL70456
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O=C(O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL70456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTAHPXXZSACISG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
3.19
ALogP
4
HBA
3
HBD
114.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 1.4 | nM | 8.85 | Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor fr... | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 650.0 | nM | 6.19 | Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands | 2848124 |
| Cholecystokinin receptor | IC50 | = | 6000.0 | nM | 5.22 | 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 |
| 2848124 | 10.1021/jm00120a002 | Mus musculus | 1 |
| 2848124 | 10.1021/jm00120a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine