Compound Detail
CHEMBL293178
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(Cc1ccc(-c2csnn2)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL293178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRMFULCMYXHBOQ-NHONPZHLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
590.8
MW (Da)
4.27
ALogP
8
HBA
4
HBD
133.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 6.47 | 6.14 | 342.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 342.0 | nM | 6.47 | Inhibition of binding of [125I]- Bolton-Hunter labeled CCK-8 to CCK-B receptor i... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of binding of [125I]- Bolton-Hunter labeled CCK-8 to CCK-B receptor i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00356-9 | Cholecystokinin receptor type A | 2 |
| - | 10.1016/S0960-894X(97)00356-9 | Gastrin/cholecystokinin type B receptor | 2 |
Data from ChEMBL 36 via Core Engine