Compound Detail
CHEMBL34422
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CC(/C=C/CCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
Basic Information
| ChEMBL ID | CHEMBL34422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKKQWXRIVFOFKI-BQNBMFHUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
482.7
MW (Da)
7.21
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 5.44 | 5.44 | 3620.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.2 | 5.2 | 6340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 3620.0 | nM | 5.44 | Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mous... | 1573640 |
| Cholecystokinin receptor type A | IC50 | = | 6340.0 | nM | 5.2 | Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat ... | 1573640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1573640 | 10.1021/jm00086a017 | Cholecystokinin receptor type A | 1 |
| 1573640 | 10.1021/jm00086a017 | Gastrin/cholecystokinin type B receptor | 1 |
| 1573640 | 10.1021/jm00086a017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine