Compound Detail
CHEMBL2062146
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C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL2062146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZOOGOCMUARFDV-FPRYDEEZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
575.7
MW (Da)
5.36
ALogP
4
HBA
4
HBD
120.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 10.08 | 10.08 | 0.1 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.083 | nM | 10.08 | Binding affinity towards Cholecystokinin type B receptor in mouse cortex membran... | 10866391 |
| Cholecystokinin receptor type A | IC50 | = | 75.0 | nM | 7.12 | Compound was evaluated for the binding affinity towards rat pancreatic Cholecyst... | 10866391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Cholecystokinin receptor type A | 1 |
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Gastrin/cholecystokinin type B receptor | 1 |
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine