Compound Detail
CHEMBL422701
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Basic Information
| ChEMBL ID | CHEMBL422701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKEPEJGXYZMKLY-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.78
ALogP
3
HBA
3
HBD
102.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of binding of [125I]- CCK-33 to rat pancreas | 2299627 |
| Cholecystokinin receptor type A | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of binding of [125I]- CCK-33 to guinea pig cortex | 2299627 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of binding of [125I]gastrin to Cholecystokinin type B receptor from g... | 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