Compound Detail
CHEMBL4209225
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Basic Information
| ChEMBL ID | CHEMBL4209225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMHBJNRIZGIDFC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
3.51
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.54 | 6.54 | 291.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 6.2 | 6.2 | 633.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.18 | 6.18 | 666.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 291.0 | nM | 6.54 | Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guinea pig brain co... | - |
| Mu-type opioid receptor | Ki | = | 633.0 | nM | 6.2 | Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes ... | - |
| Delta-type opioid receptor | Ki | = | 666.0 | nM | 6.18 | Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00441E | Delta-type opioid receptor | 1 |
| - | 10.1039/C6MD00441E | Mu-type opioid receptor | 1 |
| - | 10.1039/C6MD00441E | Kappa-type opioid receptor | 1 |
| - | 10.1039/C6MD00441E | Sigma non-opioid intracellular receptor 1 | 1 |
| - | 10.1039/C6MD00441E | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine