Compound Detail
CHEMBL1907661
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Basic Information
| ChEMBL ID | CHEMBL1907661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUPMWKNZJMFJQO-JOPBRCQMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.66
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 0.3 | nM | 9.52 | Half-maximal inhibition of [125I]CCK-8 binding to cholecystokinin receptor from ... | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 180.0 | nM | 6.75 | Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands | 2848124 |
| Cholecystokinin receptor | IC50 | = | 640.0 | nM | 6.19 | 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