Compound Detail
CHEMBL41361
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Basic Information
| ChEMBL ID | CHEMBL41361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKXJTSZBOBZLTH-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
418.9
MW (Da)
4.30
ALogP
3
HBA
2
HBD
73.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.66 | 7.4633 | 22.0 | 3 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.29 | 6.605 | 51.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 22.0 | nM | 7.66 | Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands | 2909725 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 23.0 | nM | 7.64 | Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig... | 2909725 |
| Cholecystokinin receptor type A | IC50 | = | 51.0 | nM | 7.29 | Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancre... | 2909725 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 81.3 | nM | 7.09 | Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor | 8277510 |
| Cholecystokinin receptor type A | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat p... | 8277510 |
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 |
| 8277510 | 10.1021/jm00078a018 | Gastrin/cholecystokinin type B receptor | 1 |
| 8277510 | 10.1021/jm00078a018 | Cholecystokinin receptor type A | 1 |
| 8277510 | 10.1021/jm00078a018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine