Compound Detail
CHEMBL1907716
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O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc2N1CC(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1907716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFVFTFVWPSWRTL-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.4
MW (Da)
5.66
ALogP
2
HBA
1
HBD
48.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2096986 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor | IC50 | = | 3600.0 | nM | 5.44 | Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin... | 2885419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2885419 | 10.1021/jm00390a019 | Cholecystokinin receptor | 1 |
| 2885419 | 10.1021/jm00390a019 | Cholecystokinin receptor type A | 1 |
| 2885419 | 10.1021/jm00390a019 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine