Compound Detail
CHEMBL358758
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Basic Information
| ChEMBL ID | CHEMBL358758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMWLSBSKAOWHDQ-MSOLQXFVSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.5
MW (Da)
3.47
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.86 | 6.43 | 138.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 67.0 | nM | 7.17 | Binding affinity against sigma receptor using radioligand ([3H](+)-pentazocine) ... | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 138.0 | nM | 6.86 | Inhibition of dopamine DA reuptake | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 1000.0 | nM | 6.0 | Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935 | 8941383 |
| Sodium-dependent serotonin transporter | IC50 | = | 25300.0 | nM | 4.6 | Inhibition of [3H]5-HT reuptake at rat serotonin transporter | 8941383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941383 | 10.1021/jm960305h | Sodium-dependent dopamine transporter | 3 |
| 8941383 | 10.1021/jm960305h | Sodium-dependent serotonin transporter | 1 |
| 8941383 | 10.1021/jm960305h | Monoamine transporters; serotonin & dopamine | 1 |
| 8941383 | 10.1021/jm960305h | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine