Compound Detail
CHEMBL289533
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Basic Information
| ChEMBL ID | CHEMBL289533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REOVDJIBQLUDPV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
422.9
MW (Da)
4.42
ALogP
3
HBA
3
HBD
82.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.52 | 6.355 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 110.0 | nM | 6.96 | Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancre... | 2909725 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 300.0 | nM | 6.52 | Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig... | 2909725 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 640.0 | nM | 6.19 | Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands | 2909725 |
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 |
Data from ChEMBL 36 via Core Engine