Compound Detail
CHEMBL34335
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Basic Information
| ChEMBL ID | CHEMBL34335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEXFBMPJEUUUPA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.81
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.75 | 7.2233 | 18.0 | 3 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 18.0 | nM | 7.75 | Ability to inhibit the binding of [125I]-gastrin to gastric glands in guinea pig... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 110.0 | nM | 6.96 | Inhibitory activity against Cholecystokinin type B receptor in guinea pig cerebr... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 110.0 | nM | 6.96 | Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor... | - |
| Cholecystokinin receptor type A | IC50 | = | 140.0 | nM | 6.85 | Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type A receptor... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80683-6 | Gastrin/cholecystokinin type B receptor | 2 |
| - | 10.1016/0960-894X(95)00234-K | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80683-6 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine