Compound Detail
CHEMBL356191
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CCC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL356191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGLPHJZLYBQRAC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
5.33
ALogP
4
HBA
2
HBD
90.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.57 | nM | 9.24 | Ability to displace [125I]CCK-8 from gastrin/Cholecystokinin type B receptor fro... | - |
| Cholecystokinin receptor type A | IC50 | = | 720.0 | nM | 6.14 | Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecyst... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00556-9 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/0960-894X(95)00556-9 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine