Compound Detail
CHEMBL495760
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 | CHEMBL495760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJFBHUIFPTXRGV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
4.57
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.88 | 5.88 | 1310.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 49.0 | nM | 7.31 | Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat brain ce... | 17988766 |
| Unchecked | Ki | = | 1310.0 | nM | 5.88 | Displacement of [3H]ditolylguanidine from sigma 2 opioid receptor in rat brain c... | 17988766 |
| Mu-type opioid receptor | Ki | = | 9800.0 | nM | 5.01 | Binding affinity to mu opioid receptor | 17988766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Unchecked | 2 |
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Delta-type opioid receptor | 1 |
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Kappa-type opioid receptor | 1 |
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Mu-type opioid receptor | 1 |
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine