Compound Detail
CHEMBL342640
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CN1CCN(C(=O)CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc32)CC1
Basic Information
| ChEMBL ID | CHEMBL342640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTWUWDFMCIAVBR-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
545.0
MW (Da)
3.45
ALogP
5
HBA
2
HBD
97.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 9.1 | 8.5967 | 0.8 | 3 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.92 | 5.92 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.8 | nM | 9.1 | Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor | 8277510 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 2.6 | nM | 8.59 | Ability to inhibit the binding of [125I]-gastrin to gastric glands in guinea pig... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 8.0 | nM | 8.1 | Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor... | - |
| Cholecystokinin receptor type A | IC50 | = | 1200.0 | nM | 5.92 | Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type A receptor... | - |
| 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 |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80683-6 | Gastrin/cholecystokinin type B receptor | 2 |
| - | 10.1016/S0960-894X(00)80683-6 | 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