Compound Detail
CHEMBL1907842
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1C(=O)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL1907842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXZHYJFBBATDMR-NRFANRHFSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
437.4
MW (Da)
4.28
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2095185 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.48 | 5.43 | 3300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor | IC50 | = | 3300.0 | nM | 5.48 | Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor f... | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor | 8277510 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 4200.0 | nM | 5.38 | 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 |
| 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