Compound Detail
CHEMBL2092868
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Basic Information
| ChEMBL ID | CHEMBL2092868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRUDQSQIPJJXFZ-NRFANRHFSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
4.05
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 8.54 | 7.925 | 2.9 | 2 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.28 | 5.12 | 5200.0 | 3 |
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 2.9 | nM | 8.54 | Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancre... | 2909725 |
| Cholecystokinin receptor type A | IC50 | = | 49.0 | nM | 7.31 | Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor fr... | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 5200.0 | nM | 5.28 | Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 7600.0 | nM | 5.12 | Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands | 2909725 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 11000.0 | nM | 4.96 | Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig... | 2909725 |
| Cholecystokinin receptor | IC50 | = | 11000.0 | nM | 4.96 | Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor f... | 2848124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2909725 | 10.1021/jm00121a004 | Gastrin/cholecystokinin type B receptor | 2 |
| 2909725 | 10.1021/jm00121a004 | Cholecystokinin receptor type A | 1 |
| 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