Compound Detail
CHEMBL122934
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
CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL122934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICHGJOCWGRTROB-ORYMTKCHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
763.9
MW (Da)
2.30
ALogP
8
HBA
7
HBD
242.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 8.87 | 8.87 | 1.4 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 5.33 | 5.33 | 4620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | Ki | = | 1.35 | nM | 8.87 | Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membra... | 11020275 |
| Gastrin/cholecystokinin type B receptor | Ki | = | 4620.0 | nM | 5.33 | Binding affinity against cholecystokinin type B receptor on guinea pig cortex. | 11020275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020275 | 10.1021/jm0000416 | Gastrin/cholecystokinin type B receptor | 2 |
| 11020275 | 10.1021/jm0000416 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine