Compound Detail
CHEMBL583486
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
N[C@@H](Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL583486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZZXSMUCCUBUJY-KVXOYYPDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
834.1
MW (Da)
6.89
ALogP
6
HBA
5
HBD
153.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.48 | 6.48 | 334.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 5.78 | 5.78 | 1660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 3.31 | nM | 8.48 | Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane | 19827750 |
| Mu-type opioid receptor | Ki | = | 334.0 | nM | 6.48 | Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane | 19827750 |
| Kappa-type opioid receptor | Ki | = | 1660.0 | nM | 5.78 | Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membr... | 19827750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19827750 | 10.1021/jm9004913 | Delta-type opioid receptor | 2 |
| 19827750 | 10.1021/jm9004913 | Unchecked | 2 |
| 19827750 | 10.1021/jm9004913 | Mu-type opioid receptor | 2 |
| 19827750 | 10.1021/jm9004913 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine