Compound Detail
CHEMBL117281
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Basic Information
| ChEMBL ID | CHEMBL117281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMUQHXHWJWQXSD-WOJBJXKFSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
436.3
MW (Da)
4.85
ALogP
2
HBA
2
HBD
61.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.43
Ki 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 6.43 | 6.43 | 370.0 | 2 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.19 | 5.19 | 6400.0 | 2 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 370.0 | nM | 6.43 | Half maximal inhibition of specific binding of [125I]Bolton-Hunter CCK-8 to Chol... | 11000005 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 370.0 | nM | 6.43 | The compound was tested for its activity to inhibit the binding of [125I]CCK-8 t... | - |
| Cholecystokinin receptor type A | IC50 | = | 6400.0 | nM | 5.19 | Half maximal inhibition of specific binding of [125I]-Bolton-Hunter CCK-8 to Cho... | 11000005 |
| Cholecystokinin receptor type A | IC50 | = | 6400.0 | nM | 5.19 | The compound was tested for its activity to inhibit the binding of [3H]-L-364,71... | - |
| Cholecystokinin receptor type A | Ki | = | 19952.62 | nM | 4.7 | Displacement of [125I]BH-CCK-8S from CC1 receptor expressed in guinea pig pancre... | 18201065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11000005 | 10.1021/jm000937a | Cholecystokinin receptor type A | 1 |
| 11000005 | 10.1021/jm000937a | Gastrin/cholecystokinin type B receptor | 1 |
| 11000005 | 10.1021/jm000937a | Cholecystokinin receptor | 1 |
| - | 10.1016/S0960-894X(00)80684-8 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80684-8 | Cholecystokinin receptor type A | 1 |
| 18201065 | 10.1021/jm070880t | Gastrin/cholecystokinin type B receptor | 1 |
| 18201065 | 10.1021/jm070880t | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine