Compound Detail
CHEMBL354545
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 | CHEMBL354545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYXUUABTWQUFBQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
383.6
MW (Da)
4.70
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 9.68 | 9.68 | 0.2 | 1 |
| Nociceptin receptor CHEMBL4503 | Ki | 9.31 | 9.31 | 0.5 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | Ki | 9.09 | 9.09 | 0.8 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.21 | nM | 9.68 | Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane ... | 10782696 |
| Nociceptin receptor | Ki | = | 0.49 | nM | 9.31 | Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human e... | 10782696 |
| Kappa-type opioid receptor | Ki | = | 0.82 | nM | 9.09 | Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane ... | 10782696 |
| Delta-type opioid receptor | Ki | = | 15.0 | nM | 7.82 | Inhibition against binding of radioligand [Ile5,6-3H]-deltorphin to membrane fro... | 10782696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10782696 | 10.1016/s0960-894x(00)00111-6 | Unchecked | 2 |
| 10782696 | 10.1016/s0960-894x(00)00111-6 | Nociceptin receptor | 1 |
| 10782696 | 10.1016/s0960-894x(00)00111-6 | Mu-type opioid receptor | 1 |
| 10782696 | 10.1016/s0960-894x(00)00111-6 | Kappa-type opioid receptor | 1 |
| 10782696 | 10.1016/s0960-894x(00)00111-6 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine