Compound Detail
CHEMBL30524
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
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL30524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXEZVXRUAQPIJB-VGIXQKKKSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.7
MW (Da)
5.43
ALogP
5
HBA
3
HBD
121.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.41
Ki 1 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | Ki | 7.73 | 7.73 | 18.6 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 6.41 | 6.41 | 389.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 18.6 | nM | 7.73 | Capacity to inhibit [3H]-p CCK 8 binding to membrane preparations of CHO cells t... | 9871777 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 389.0 | nM | 6.41 | Inhibitory activity against CCK-B receptor | 9871777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871777 | 10.1016/s0960-894x(98)00231-5 | Gastrin/cholecystokinin type B receptor | 2 |
Data from ChEMBL 36 via Core Engine