Compound Detail
CHEMBL438739
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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL438739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEGZKBKISJJLJC-FCVZMFCYSA-N |
6
Targets
14
Activities
3
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1212.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.11
EC50 4 meas. best 8.25
Ki 4 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.25 | 8.25 | 5.6 | 2 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.43 | 7.43 | 37.1 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | EC50 | 6.62 | 6.62 | 239.9 | 2 |
| Cholecystokinin receptor type A CHEMBL1901 | Ki | 6.25 | 6.25 | 560.0 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 6.24 | 6.24 | 575.4 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.03 | 6.03 | 933.2 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 6.03 | 6.03 | 930.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 150.0 | nM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509592 | 10.1021/jm050851n | Delta-type opioid receptor | 6 |
| 16509592 | 10.1021/jm050851n | Mu-type opioid receptor | 6 |
| 16509592 | 10.1021/jm050851n | Cholecystokinin receptor type A | 2 |
| 16509592 | 10.1021/jm050851n | Gastrin/cholecystokinin type B receptor | 2 |
| 16509592 | 10.1021/jm050851n | Cholecystokinin receptor | 2 |
Data from ChEMBL 36 via Core Engine