Compound Detail
CHEMBL455743
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
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL455743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWSMYALLYGLVNZ-IIZANFQQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
599.7
MW (Da)
1.88
ALogP
6
HBA
6
HBD
176.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 6.84 | 6.81 | 144.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 144.0 | nM | 6.84 | Displacement of [3H]endomorphin-2 from mu opioid receptor in Wistar rat brain | 18572932 |
| Mu-type opioid receptor | Ki | = | 166.0 | nM | 6.78 | Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain | 18572932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18572932 | 10.1021/jm800223t | Mu-type opioid receptor | 2 |
| 18572932 | 10.1021/jm800223t | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine