Compound Detail
CHEMBL157658
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
Basic Information
| ChEMBL ID | CHEMBL157658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCLONOKYROXQCI-FQEVSTJZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
4.26
ALogP
4
HBA
3
HBD
108.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 4.5 | nM | 8.35 | Inhibition of binding of [125I]- CCK-33 to rat pancreas | 2299627 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 310.0 | nM | 6.51 | Inhibition of binding of [125I]gastrin to Cholecystokinin type B receptor from g... | 2299627 |
| Cholecystokinin receptor type A | IC50 | = | 710.0 | nM | 6.15 | Inhibition of binding of [125I]- CCK-33 to guinea pig cortex | 2299627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2299627 | 10.1021/jm00164a020 | Cholecystokinin receptor type A | 2 |
| 2299627 | 10.1021/jm00164a020 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine