Compound Detail
CHEMBL2114102
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CN1C(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL2114102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRZKRPHYMGDLBB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
4.22
ALogP
5
HBA
2
HBD
100.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 580.0 | nM | 6.24 | Half-maximal inhibition of [125I]CCK-8 binding to cholecystokinin receptor from ... | 2848124 |
| Cholecystokinin receptor | IC50 | = | 2700.0 | nM | 5.57 | Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor f... | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 2900.0 | nM | 5.54 | Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands | 2848124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor type A | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine