Compound Detail
CHEMBL286247
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C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL286247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZZPPPZINPSHEI-YQRDHOFASA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
592.1
MW (Da)
5.83
ALogP
4
HBA
3
HBD
111.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 6.66 | 6.66 | 217.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.97 | 5.97 | 1060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 14.0 | nM | 7.85 | Capacity to inhibit [3H]-p CCK 8 binding to membrane preparations of CHO cells t... | 9871777 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 217.0 | nM | 6.66 | Inhibitory activity against CCK-B receptor | 9871777 |
| Cholecystokinin receptor type A | Ki | = | 1060.0 | nM | 5.97 | Binding affinity against CCK-A receptor in guinea pig pancreatic membranes | 9871777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871777 | 10.1016/s0960-894x(98)00231-5 | Gastrin/cholecystokinin type B receptor | 2 |
| 9871777 | 10.1016/s0960-894x(98)00231-5 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine