Compound Detail
CHEMBL314726
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Basic Information
| ChEMBL ID | CHEMBL314726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWGCWPDDAIECKI-ZIAGYGMSSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
558.2
MW (Da)
6.15
ALogP
3
HBA
1
HBD
20.2
PSA (Ų)
0.41
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.79 | 5.79 | 1610.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 5.7 | 5.7 | 1990.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.07 | 5.07 | 8540.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 4.52 | 4.52 | 30300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 1610.0 | nM | 5.79 | Binding affinity against Serotonin transporter in male Sprague-Dawley rats using... | 10543888 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1990.0 | nM | 5.7 | Binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3... | 10543888 |
| Norepinephrine transporter | Ki | = | 8540.0 | nM | 5.07 | The compound was tested for binding affinity nisoxatine ligand | 10543888 |
| Sodium-dependent dopamine transporter | Ki | = | 30300.0 | nM | 4.52 | Binding affinity against dopamine transporter was determined by the displacement... | 12801223 |
| Sodium-dependent dopamine transporter | Ki | = | 30300.0 | nM | 4.52 | Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand | 10543888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543687 | 10.1021/jm010146o | D(3) dopamine receptor | 1 |
| 12801223 | 10.1021/jm030008u | Sodium-dependent dopamine transporter | 1 |
| 10543888 | 10.1021/jm9902943 | Sodium-dependent dopamine transporter | 1 |
| 10543888 | 10.1021/jm9902943 | Sodium-dependent serotonin transporter | 1 |
| 10543888 | 10.1021/jm9902943 | Norepinephrine transporter | 1 |
| 10543888 | 10.1021/jm9902943 | Unchecked | 1 |
| 10543888 | 10.1021/jm9902943 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine