Compound Detail
CHEMBL313038
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Basic Information
| ChEMBL ID | CHEMBL313038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGQAUDOSACJSSX-AQZKVIQRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.3
MW (Da)
4.46
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.49 | 6.49 | 326.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 4.74 | 4.74 | 18277.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.51 | nM | 8.82 | Inhibition of [3H]WIN-35428l binding to Dopamine transporter | 1619622 |
| Sodium-dependent serotonin transporter | IC50 | = | 326.0 | nM | 6.49 | Inhibition of [3H]paroxetine binding to Serotonin transporter | 1619622 |
| Norepinephrine transporter | IC50 | = | 18277.0 | nM | 4.74 | Inhibition of [3H]mazindol binding to Norepinephrine transporter | 1619622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1619622 | 10.1021/jm00091a019 | Norepinephrine transporter | 2 |
| 1619622 | 10.1021/jm00091a019 | Sodium-dependent serotonin transporter | 2 |
| 1619622 | 10.1021/jm00091a019 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine