Compound Detail
CHEMBL1907729
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Basic Information
| ChEMBL ID | CHEMBL1907729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJEIRFDFZCCLMQ-JOCHJYFZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.74
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2096986 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor | IC50 | = | 360.0 | nM | 6.44 | Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin... | 2885419 |
| Cholecystokinin receptor type A | IC50 | = | 17000.0 | nM | 4.77 | Half-maximal inhibition of [125I]CCK-33 binding to guinea pig brain(cortex) chol... | 2885419 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 49000.0 | nM | 4.31 | Half-maximal inhibition of binding of [125I]gastrin to guinea pig gastric glands | 2885419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2885419 | 10.1021/jm00390a019 | Mus musculus | 2 |
| 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 |
| 2885419 | 10.1021/jm00390a019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine