Compound Detail
CHEMBL356408
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
CC(C)N(C(=O)CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL356408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAYFRXOMWAZQGV-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
585.7
MW (Da)
5.42
ALogP
4
HBA
2
HBD
105.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
EC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 6.3 | 6.3 | 501.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 15.85 | nM | 7.8 | Compound was tested in vitro for its ability to displace [125I]Bolton-Hunter CCK... | 8978852 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 316.23 | nM | 6.5 | Compound was tested in vitro for its ability to displace [125I]Bolton-Hunter CCK... | 8978852 |
| Cavia porcellus | EC50 | = | 501.19 | nM | 6.3 | In-vitro potency on the isolated guinea pig gallbladder | 8978852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978852 | 10.1021/jm9601664 | Mus musculus | 4 |
| 8978852 | 10.1021/jm9601664 | Cavia porcellus | 3 |
| 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