Compound Detail
CHEMBL2093119
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CC(C)(C)OC(=O)CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)CCc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL2093119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUWJOQQEDQKJQL-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
3.59
ALogP
4
HBA
2
HBD
91.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2096986 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue | 2754692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2754692 | 10.1021/jm00128a004 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine