Compound Detail
CHEMBL338411
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Basic Information
| ChEMBL ID | CHEMBL338411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LITALOXXZWFTOC-QKBRSHRXSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.70
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | Ki | 8.07 | 8.07 | 8.5 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 6.93 | 6.93 | 118.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.42 | 6.42 | 380.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.55 | 5.55 | 2813.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.47 | 5.47 | 3422.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 8.5 | nM | 8.07 | Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles | 9397171 |
| Sigma 2 receptor | Ki | = | 118.0 | nM | 6.93 | Sigma 2 binding assay was done rat liver membrane, by labeling the binding site ... | 9397171 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 380.0 | nM | 6.42 | Sigma-1 binding assay was done in guinea pig membranes by labeling the binding s... | 9397171 |
| Sodium-dependent dopamine transporter | Ki | = | 2813.0 | nM | 5.55 | Binding affinity for dopamine transporter was determined in rat striatal membran... | 9397171 |
| Sodium-dependent serotonin transporter | Ki | = | 3422.0 | nM | 5.47 | Binding affinity for serotonin transporter was determined in rat cortical membra... | 9397171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9397171 | 10.1021/jm970326r | Vesicular acetylcholine transporter | 1 |
| 9397171 | 10.1021/jm970326r | Sigma non-opioid intracellular receptor 1 | 1 |
| 9397171 | 10.1021/jm970326r | Sigma 2 receptor | 1 |
| 9397171 | 10.1021/jm970326r | Dopamine receptor D2 and D3 | 1 |
| 9397171 | 10.1021/jm970326r | Sodium-dependent dopamine transporter | 1 |
| 9397171 | 10.1021/jm970326r | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine