Compound Detail
CHEMBL124396
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O=C(O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2
Basic Information
| ChEMBL ID | CHEMBL124396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWFHOMPMUMRMKV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.4
MW (Da)
4.68
ALogP
3
HBA
3
HBD
95.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 4.48 | 4.48 | 32800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 300.0 | nM | 6.52 | Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B... | 1732532 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 8100.0 | nM | 5.09 | Concentration required to inhibit by 50% the specific binding of [3H]pentagastri... | 1732532 |
| Cholecystokinin receptor type A | IC50 | = | 32800.0 | nM | 4.48 | Concentration required to inhibit by 50% specific binding of [125I](BH)-CCK-8 to... | 1732532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732532 | 10.1021/jm00079a003 | Gastrin/cholecystokinin type B receptor | 3 |
| 1732532 | 10.1021/jm00079a003 | Cholecystokinin receptor type A | 2 |
| 1732532 | 10.1021/jm00079a003 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine