Compound Detail
CHEMBL2448130
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
Basic Information
| ChEMBL ID | CHEMBL2448130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVUSYTRJVKZPGP-QGZVFWFLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.36
ALogP
4
HBA
1
HBD
44.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.61 | 7.61 | 24.8 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.36 | 6.36 | 438.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.71 | nM | 9.15 | Binding affinity against opioid receptor kappa 1 from human cloned receptor | 12930147 |
| Mu-type opioid receptor | Ki | = | 24.8 | nM | 7.61 | Binding affinity determined against Opioid receptor mu 1 from human cloned recep... | 12930147 |
| Delta-type opioid receptor | Ki | = | 438.0 | nM | 6.36 | Binding affinity determined against Opioid receptor delta 1 from human cloned re... | 12930147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930147 | 10.1021/jm0307640 | Kappa-type opioid receptor | 1 |
| 12930147 | 10.1021/jm0307640 | Mu-type opioid receptor | 1 |
| 12930147 | 10.1021/jm0307640 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine