Compound Detail
CHEMBL2448128
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 | CHEMBL2448128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYCHFYLMMMZMSJ-GOSISDBHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
4.22
ALogP
4
HBA
1
HBD
44.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.61 | 8.61 | 2.5 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.26 | 7.26 | 54.8 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.26 | 6.26 | 544.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 1.28 | nM | 8.89 | Binding affinity against opioid receptor kappa 1 from human cloned receptor | 12930147 |
| Kappa-type opioid receptor | Ki | = | 2.46 | nM | 8.61 | Binding affinity determined against Opioid receptor kappa 1 from a native recept... | 12930147 |
| Mu-type opioid receptor | Ki | = | 54.8 | nM | 7.26 | Binding affinity determined against Opioid receptor mu 1 from human cloned recep... | 12930147 |
| Delta-type opioid receptor | Ki | = | 544.0 | nM | 6.26 | 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 | 2 |
| 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