Compound Detail
CHEMBL3142686
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)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3142686 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JLFBZRXGVZBQNU-LJWNLINESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
736.8
MW (Da)
1.10
ALogP
8
HBA
9
HBD
276.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1000.0 | nM | 6.0 | Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by usi... | 1716682 |
| Cholecystokinin receptor type A | IC50 | = | 12000.0 | nM | 4.92 | Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by u... | 1716682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1716682 | 10.1021/jm00113a023 | Cholecystokinin receptor type A | 1 |
| 1716682 | 10.1021/jm00113a023 | Gastrin/cholecystokinin type B receptor | 1 |
| 1716682 | 10.1021/jm00113a023 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine