Compound Detail
CHEMBL70728
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 | CHEMBL70728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAAIQFQHSUFGKD-JOCHJYFZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
5.22
ALogP
2
HBA
2
HBD
57.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2096986 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2798 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 4.52 | 4.52 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 3400.0 | nM | 5.47 | Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin receptor | 2848124 |
| Cholecystokinin receptor | IC50 | = | 3400.0 | nM | 5.47 | Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin... | 2885419 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 30000.0 | nM | 4.52 | Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands | 2848124 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 30000.0 | nM | 4.52 | 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 |
| 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 |
| 2848124 | 10.1021/jm00120a002 | GABA-A receptor; anion channel | 1 |
| 2848124 | 10.1021/jm00120a002 | Mus musculus | 1 |
| 2848124 | 10.1021/jm00120a002 | Unchecked | 1 |
| 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 | GABA-A receptor; anion channel | 1 |
| 2885419 | 10.1021/jm00390a019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine