Compound Detail
CHEMBL358778
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COC(=O)n1c(C(=O)NC2C(=O)N(CC(=O)N(c3ccccc3)C(C)C)c3ccccc3N(c3ccccc3)C2=O)cc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL358778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNVSYPLFUFXAES-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
643.7
MW (Da)
5.51
ALogP
7
HBA
1
HBD
121.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
EC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 7.9 | 7.9 | 12.6 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 10.0 | nM | 8.0 | Compound was tested in vitro for its ability to displace [125I]Bolton-Hunter CCK... | 8978852 |
| Cavia porcellus | EC50 | = | 12.59 | nM | 7.9 | In-vitro potency on the isolated guinea pig gallbladder | 8978852 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 199.53 | nM | 6.7 | Compound was tested in vitro for its ability to displace [125I]Bolton-Hunter CCK... | 8978852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978852 | 10.1021/jm9601664 | Cavia porcellus | 4 |
| 8978852 | 10.1021/jm9601664 | Mus musculus | 4 |
| 8978852 | 10.1021/jm9601664 | Rattus norvegicus | 3 |
| 8978852 | 10.1021/jm9601664 | Cholecystokinin receptor type A | 1 |
| 8978852 | 10.1021/jm9601664 | Gastrin/cholecystokinin type B receptor | 1 |
| 8978852 | 10.1021/jm9601664 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine