Compound Detail
CHEMBL346409
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Basic Information
| ChEMBL ID | CHEMBL346409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTNUZVAWJJOFJL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.5
MW (Da)
3.87
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.79 | 5.45 | 1640.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 0.5 | nM | 9.3 | Binding affinity against sigma receptor using radioligand ([3H](+)-pentazocine) ... | 8941383 |
| Sodium-dependent serotonin transporter | IC50 | = | 1340.0 | nM | 5.87 | Inhibition of [3H]5-HT reuptake at rat serotonin transporter | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 1640.0 | nM | 5.79 | Inhibition of dopamine DA reuptake | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 7760.0 | nM | 5.11 | Binding against Dopamine transporter using radioligand as [3H]GBR 12935 | 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 | Sigma non-opioid intracellular receptor 1 | 1 |
| 8941383 | 10.1021/jm960305h | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine