Compound Detail
CHEMBL325945
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Basic Information
| ChEMBL ID | CHEMBL325945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPZVRDLFBIYDOY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
2.91
ALogP
6
HBA
1
HBD
76.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Nociceptin receptor CHEMBL2014 | IC50 | 6.36 | 6.36 | 434.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.82 | 5.82 | 1520.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 5.18 | 5.18 | 6550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 6.3 | nM | 8.2 | Binding affinity against mu opiate receptor | 11585444 |
| Kappa-type opioid receptor | IC50 | = | 32.0 | nM | 7.5 | Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioli... | 11585444 |
| Nociceptin receptor | IC50 | = | 434.0 | nM | 6.36 | Inhibition of human ORL1 orphanin receptor | 11585444 |
| Delta-type opioid receptor | IC50 | = | 620.0 | nM | 6.21 | Inhibition of ligand binding to human delta opioid receptor. | 11585444 |
| Sodium-dependent dopamine transporter | IC50 | = | 1520.0 | nM | 5.82 | Inhibition of human dopamine transporter | 11585444 |
| D(4) dopamine receptor | IC50 | = | 6550.0 | nM | 5.18 | Inhibition of human dopamine receptor D4.4 | 11585444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585444 | 10.1021/jm010878g | Mu-type opioid receptor | 1 |
| 11585444 | 10.1021/jm010878g | Kappa-type opioid receptor | 1 |
| 11585444 | 10.1021/jm010878g | Delta-type opioid receptor | 1 |
| 11585444 | 10.1021/jm010878g | Nociceptin receptor | 1 |
| 11585444 | 10.1021/jm010878g | D(4) dopamine receptor | 1 |
| 11585444 | 10.1021/jm010878g | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine